N-[2-(diethylamino)ethyl]-6-[2-[2-[2-[3-[2-[2-[2-[6-[[3-[2-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[2-[3-[[3-[2-[[3-[2-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[6-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-3-oxohexyl]amino]ethylamino]-3-oxopropyl]-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[[5-[(2,3-dihydroxybenzoyl)amino]-2,2-bis[3-[(2,3-dihydroxybenzoyl)amino]propyl]pentanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]amino]propanoylamino]ethyl]amino]-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethylcarbamoylamino]quinoxaline-2-carboxamide

C207H328N42O59 — CID 140732599

IUPACN-[2-(diethylamino)ethyl]-6-[2-[2-[2-[3-[2-[2-[2-[6-[[3-[2-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[2-[3-[[3-[2-[[3-[2-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[6-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-3-oxohexyl]amino]ethylamino]-3-oxopropyl]-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[[5-[(2,3-dihydroxybenzoyl)amino]-2,2-bis[3-[(2,3-dihydroxybenzoyl)amino]propyl]pentanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]amino]propanoylamino]ethyl]amino]-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethylcarbamoylamino]quinoxaline-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1cnc2cc(NC(=O)NCCOCCOCCNC(=O)CCOCCOCCOCCOCCCC(=O)CCN(CCNC(=O)CCN(CCC(=O)NCCN(CCC(=O)CCCOCCOCCOCCOCCC(=O)NCCOCCOCCNC(=O)Nc3ccc4nc(C(=O)NCCN(CC)CC)cnc4c3)CCC(=O)NCCOCCOCCOCCOCCC(=O)NCCOCCOCCNC(=O)Nc3ccc4nc(C(=O)NCCN(CC)CC)cnc4c3)Cc3cn(CCOCCOCCOCCOCCOCCOCCOCCNC(=O)C(CCCNC(=O)c4cccc(O)c4O)(CCCNC(=O)c4cccc(O)c4O)CCCNC(=O)c4cccc(O)c4O)nn3)CCC(=O)NCCOCCOCCOCCOCCC(=O)NCCOCCOCCNC(=O)Nc3ccc4nc(C(=O)NCCN(CC)CC)cnc4c3)ccc2n1
InChIInChI=1S/C207H328N42O59/c1-9-242(10-2)80-59-219-198(269)177-153-228-173-149-159(33-37-169(173)236-177)232-203(274)224-70-100-291-115-111-284-95-65-212-188(259)47-89-280-107-125-298-135-133-296-123-105-278-87-20-25-164(250)41-74-246(76-43-186(257)210-63-93-288-119-129-302-139-137-300-127-109-282-91-49-190(261)214-67-97-286-113-117-293-102-72-226-205(276)234-161-35-39-171-175(151-161)230-155-179(238-171)200(271)221-61-82-244(13-5)14-6)84-57-208-184(255)45-78-248(157-163-158-249(241-240-163)86-104-295-122-132-305-142-144-307-146-148-308-147-145-306-143-141-304-131-121-290-99-69-223-202(273)207(51-22-54-216-195(266)166-27-17-30-181(252)192(166)263,52-23-55-217-196(267)167-28-18-31-182(253)193(167)264)53-24-56-218-197(268)168-29-19-32-183(254)194(168)265)79-46-185(256)209-58-85-247(75-42-165(251)26-21-88-279-106-124-297-134-136-299-126-108-281-90-48-189(260)213-66-96-285-112-116-292-101-71-225-204(275)233-160-34-38-170-174(150-160)229-154-178(237-170)199(270)220-60-81-243(11-3)12-4)77-44-187(258)211-64-94-289-120-130-303-140-138-301-128-110-283-92-50-191(262)215-68-98-287-114-118-294-103-73-227-206(277)235-162-36-40-172-176(152-162)231-156-180(239-172)201(272)222-62-83-245(15-7)16-8/h17-19,27-40,149-156,158,252-254,263-265H,9-16,20-26,41-148,157H2,1-8H3,(H,208,255)(H,209,256)(H,210,257)(H,211,258)(H,212,259)(H,213,260)(H,214,261)(H,215,262)(H,216,266)(H,217,267)(H,218,268)(H,219,269)(H,220,270)(H,221,271)(H,222,272)(H,223,273)(H2,224,232,274)(H2,225,233,275)(H2,226,234,276)(H2,227,235,277)
InChIKeyHUUHMAJBIYRNHB-UHFFFAOYSA-N
MW4349.14 g/mol
LogP5.04
Rot. Bonds192

About N-[2-(diethylamino)ethyl]-6-[2-[2-[2-[3-[2-[2-[2-[6-[[3-[2-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[2-[3-[[3-[2-[[3-[2-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[6-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-3-oxohexyl]amino]ethylamino]-3-oxopropyl]-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[[5-[(2,3-dihydroxybenzoyl)amino]-2,2-bis[3-[(2,3-dihydroxybenzoyl)amino]propyl]pentanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]amino]propanoylamino]ethyl]amino]-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethylcarbamoylamino]quinoxaline-2-carboxamide

N-[2-(diethylamino)ethyl]-6-[2-[2-[2-[3-[2-[2-[2-[6-[[3-[2-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[2-[3-[[3-[2-[[3-[2-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[6-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-3-oxohexyl]amino]ethylamino]-3-oxopropyl]-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[[5-[(2,3-dihydroxybenzoyl)amino]-2,2-bis[3-[(2,3-dihydroxybenzoyl)amino]propyl]pentanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]amino]propanoylamino]ethyl]amino]-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethylcarbamoylamino]quinoxaline-2-carboxamide (PubChem CID 140732599) has the molecular formula C207H328N42O59 and a molecular weight of 4349.14 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-6-[2-[2-[2-[3-[2-[2-[2-[6-[[3-[2-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[2-[3-[[3-[2-[[3-[2-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[6-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-3-oxohexyl]amino]ethylamino]-3-oxopropyl]-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[[5-[(2,3-dihydroxybenzoyl)amino]-2,2-bis[3-[(2,3-dihydroxybenzoyl)amino]propyl]pentanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]amino]propanoylamino]ethyl]amino]-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethylcarbamoylamino]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-6-[2-[2-[2-[3-[2-[2-[2-[6-[[3-[2-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[2-[3-[[3-[2-[[3-[2-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[6-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-3-oxohexyl]amino]ethylamino]-3-oxopropyl]-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[[5-[(2,3-dihydroxybenzoyl)amino]-2,2-bis[3-[(2,3-dihydroxybenzoyl)amino]propyl]pentanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]amino]propanoylamino]ethyl]amino]-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethylcarbamoylamino]quinoxaline-2-carboxamide
PubChem CID140732599
Molecular FormulaC207H328N42O59
Molecular Weight4349.14 g/mol
Exact Mass4346.40
IUPAC NameN-[2-(diethylamino)ethyl]-6-[2-[2-[2-[3-[2-[2-[2-[6-[[3-[2-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[2-[3-[[3-[2-[[3-[2-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[6-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-3-oxohexyl]amino]ethylamino]-3-oxopropyl]-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[[5-[(2,3-dihydroxybenzoyl)amino]-2,2-bis[3-[(2,3-dihydroxybenzoyl)amino]propyl]pentanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]amino]propanoylamino]ethyl]amino]-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethylcarbamoylamino]quinoxaline-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1cnc2cc(NC(=O)NCCOCCOCCNC(=O)CCOCCOCCOCCOCCCC(=O)CCN(CCNC(=O)CCN(CCC(=O)NCCN(CCC(=O)CCCOCCOCCOCCOCCC(=O)NCCOCCOCCNC(=O)Nc3ccc4nc(C(=O)NCCN(CC)CC)cnc4c3)CCC(=O)NCCOCCOCCOCCOCCC(=O)NCCOCCOCCNC(=O)Nc3ccc4nc(C(=O)NCCN(CC)CC)cnc4c3)Cc3cn(CCOCCOCCOCCOCCOCCOCCOCCNC(=O)C(CCCNC(=O)c4cccc(O)c4O)(CCCNC(=O)c4cccc(O)c4O)CCCNC(=O)c4cccc(O)c4O)nn3)CCC(=O)NCCOCCOCCOCCOCCC(=O)NCCOCCOCCNC(=O)Nc3ccc4nc(C(=O)NCCN(CC)CC)cnc4c3)ccc2n1
InChIInChI=1S/C207H328N42O59/c1-9-242(10-2)80-59-219-198(269)177-153-228-173-149-159(33-37-169(173)236-177)232-203(274)224-70-100-291-115-111-284-95-65-212-188(259)47-89-280-107-125-298-135-133-296-123-105-278-87-20-25-164(250)41-74-246(76-43-186(257)210-63-93-288-119-129-302-139-137-300-127-109-282-91-49-190(261)214-67-97-286-113-117-293-102-72-226-205(276)234-161-35-39-171-175(151-161)230-155-179(238-171)200(271)221-61-82-244(13-5)14-6)84-57-208-184(255)45-78-248(157-163-158-249(241-240-163)86-104-295-122-132-305-142-144-307-146-148-308-147-145-306-143-141-304-131-121-290-99-69-223-202(273)207(51-22-54-216-195(266)166-27-17-30-181(252)192(166)263,52-23-55-217-196(267)167-28-18-31-182(253)193(167)264)53-24-56-218-197(268)168-29-19-32-183(254)194(168)265)79-46-185(256)209-58-85-247(75-42-165(251)26-21-88-279-106-124-297-134-136-299-126-108-281-90-48-189(260)213-66-96-285-112-116-292-101-71-225-204(275)233-160-34-38-170-174(150-160)229-154-178(237-170)199(270)220-60-81-243(11-3)12-4)77-44-187(258)211-64-94-289-120-130-303-140-138-301-128-110-283-92-50-191(262)215-68-98-287-114-118-294-103-73-227-206(277)235-162-36-40-172-176(152-162)231-156-180(239-172)201(272)222-62-83-245(15-7)16-8/h17-19,27-40,149-156,158,252-254,263-265H,9-16,20-26,41-148,157H2,1-8H3,(H,208,255)(H,209,256)(H,210,257)(H,211,258)(H,212,259)(H,213,260)(H,214,261)(H,215,262)(H,216,266)(H,217,267)(H,218,268)(H,219,269)(H,220,270)(H,221,271)(H,222,272)(H,223,273)(H2,224,232,274)(H2,225,233,275)(H2,226,234,276)(H2,227,235,277)
InChIKeyHUUHMAJBIYRNHB-UHFFFAOYSA-N
XLogP5.04
TPSA1228.28 Ų
H-Bond Donors30
H-Bond Acceptors77
Rotatable Bonds192
Heavy Atoms308
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004349.14
LogP ≤ 55.04
H-Bond Donors ≤ 530
H-Bond Acceptors ≤ 1077

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze N-[2-(diethylamino)ethyl]-6-[2-[2-[2-[3-[2-[2-[2-[6-[[3-[2-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[2-[3-[[3-[2-[[3-[2-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[6-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-3-oxohexyl]amino]ethylamino]-3-oxopropyl]-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[[5-[(2,3-dihydroxybenzoyl)amino]-2,2-bis[3-[(2,3-dihydroxybenzoyl)amino]propyl]pentanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]amino]propanoylamino]ethyl]amino]-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethylcarbamoylamino]quinoxaline-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-6-[2-[2-[2-[3-[2-[2-[2-[6-[[3-[2-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[2-[3-[[3-[2-[[3-[2-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[6-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-3-oxohexyl]amino]ethylamino]-3-oxopropyl]-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[[5-[(2,3-dihydroxybenzoyl)amino]-2,2-bis[3-[(2,3-dihydroxybenzoyl)amino]propyl]pentanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]amino]propanoylamino]ethyl]amino]-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethylcarbamoylamino]quinoxaline-2-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-6-[2-[2-[2-[3-[2-[2-[2-[6-[[3-[2-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[2-[3-[[3-[2-[[3-[2-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[6-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-3-oxohexyl]amino]ethylamino]-3-oxopropyl]-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[[5-[(2,3-dihydroxybenzoyl)amino]-2,2-bis[3-[(2,3-dihydroxybenzoyl)amino]propyl]pentanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]amino]propanoylamino]ethyl]amino]-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethylcarbamoylamino]quinoxaline-2-carboxamide (CID 140732599) is N-[2-(diethylamino)ethyl]-6-[2-[2-[2-[3-[2-[2-[2-[6-[[3-[2-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[2-[3-[[3-[2-[[3-[2-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[6-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-3-oxohexyl]amino]ethylamino]-3-oxopropyl]-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[[5-[(2,3-dihydroxybenzoyl)amino]-2,2-bis[3-[(2,3-dihydroxybenzoyl)amino]propyl]pentanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]amino]propanoylamino]ethyl]amino]-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethylcarbamoylamino]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-6-[2-[2-[2-[3-[2-[2-[2-[6-[[3-[2-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[2-[3-[[3-[2-[[3-[2-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[6-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-3-oxohexyl]amino]ethylamino]-3-oxopropyl]-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[[5-[(2,3-dihydroxybenzoyl)amino]-2,2-bis[3-[(2,3-dihydroxybenzoyl)amino]propyl]pentanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]amino]propanoylamino]ethyl]amino]-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethylcarbamoylamino]quinoxaline-2-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-6-[2-[2-[2-[3-[2-[2-[2-[6-[[3-[2-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[2-[3-[[3-[2-[[3-[2-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[6-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-3-oxohexyl]amino]ethylamino]-3-oxopropyl]-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[[5-[(2,3-dihydroxybenzoyl)amino]-2,2-bis[3-[(2,3-dihydroxybenzoyl)amino]propyl]pentanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]amino]propanoylamino]ethyl]amino]-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethylcarbamoylamino]quinoxaline-2-carboxamide is CCN(CC)CCNC(=O)c1cnc2cc(NC(=O)NCCOCCOCCNC(=O)CCOCCOCCOCCOCCCC(=O)CCN(CCNC(=O)CCN(CCC(=O)NCCN(CCC(=O)CCCOCCOCCOCCOCCC(=O)NCCOCCOCCNC(=O)Nc3ccc4nc(C(=O)NCCN(CC)CC)cnc4c3)CCC(=O)NCCOCCOCCOCCOCCC(=O)NCCOCCOCCNC(=O)Nc3ccc4nc(C(=O)NCCN(CC)CC)cnc4c3)Cc3cn(CCOCCOCCOCCOCCOCCOCCOCCNC(=O)C(CCCNC(=O)c4cccc(O)c4O)(CCCNC(=O)c4cccc(O)c4O)CCCNC(=O)c4cccc(O)c4O)nn3)CCC(=O)NCCOCCOCCOCCOCCC(=O)NCCOCCOCCNC(=O)Nc3ccc4nc(C(=O)NCCN(CC)CC)cnc4c3)ccc2n1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-6-[2-[2-[2-[3-[2-[2-[2-[6-[[3-[2-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[2-[3-[[3-[2-[[3-[2-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[6-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-3-oxohexyl]amino]ethylamino]-3-oxopropyl]-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[[5-[(2,3-dihydroxybenzoyl)amino]-2,2-bis[3-[(2,3-dihydroxybenzoyl)amino]propyl]pentanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]amino]propanoylamino]ethyl]amino]-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethylcarbamoylamino]quinoxaline-2-carboxamide?
The InChIKey is HUUHMAJBIYRNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C207H328N42O59/c1-9-242(10-2)80-59-219-198(269)177-153-228-173-149-159(33-37-169(173)236-177)232-203(274)224-70-100-291-115-111-284-95-65-212-188(259)47-89-280-107-125-298-135-133-296-123-105-278-87-20-25-164(250)41-74-246(76-43-186(257)210-63-93-288-119-129-302-139-137-300-127-109-282-91-49-190(261)214-67-97-286-113-117-293-102-72-226-205(276)234-161-35-39-171-175(151-161)230-155-179(238-171)200(271)221-61-82-244(13-5)14-6)84-57-208-184(255)45-78-248(157-163-158-249(241-240-163)86-104-295-122-132-305-142-144-307-146-148-308-147-145-306-143-141-304-131-121-290-99-69-223-202(273)207(51-22-54-216-195(266)166-27-17-30-181(252)192(166)263,52-23-55-217-196(267)167-28-18-31-182(253)193(167)264)53-24-56-218-197(268)168-29-19-32-183(254)194(168)265)79-46-185(256)209-58-85-247(75-42-165(251)26-21-88-279-106-124-297-134-136-299-126-108-281-90-48-189(260)213-66-96-285-112-116-292-101-71-225-204(275)233-160-34-38-170-174(150-160)229-154-178(237-170)199(270)220-60-81-243(11-3)12-4)77-44-187(258)211-64-94-289-120-130-303-140-138-301-128-110-283-92-50-191(262)215-68-98-287-114-118-294-103-73-227-206(277)235-162-36-40-172-176(152-162)231-156-180(239-172)201(272)222-62-83-245(15-7)16-8/h17-19,27-40,149-156,158,252-254,263-265H,9-16,20-26,41-148,157H2,1-8H3,(H,208,255)(H,209,256)(H,210,257)(H,211,258)(H,212,259)(H,213,260)(H,214,261)(H,215,262)(H,216,266)(H,217,267)(H,218,268)(H,219,269)(H,220,270)(H,221,271)(H,222,272)(H,223,273)(H2,224,232,274)(H2,225,233,275)(H2,226,234,276)(H2,227,235,277).
What are the key properties of N-[2-(diethylamino)ethyl]-6-[2-[2-[2-[3-[2-[2-[2-[6-[[3-[2-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[2-[3-[[3-[2-[[3-[2-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[6-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-3-oxohexyl]amino]ethylamino]-3-oxopropyl]-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[[5-[(2,3-dihydroxybenzoyl)amino]-2,2-bis[3-[(2,3-dihydroxybenzoyl)amino]propyl]pentanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]amino]propanoylamino]ethyl]amino]-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethylcarbamoylamino]quinoxaline-2-carboxamide?
N-[2-(diethylamino)ethyl]-6-[2-[2-[2-[3-[2-[2-[2-[6-[[3-[2-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[2-[3-[[3-[2-[[3-[2-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[6-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-3-oxohexyl]amino]ethylamino]-3-oxopropyl]-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[[5-[(2,3-dihydroxybenzoyl)amino]-2,2-bis[3-[(2,3-dihydroxybenzoyl)amino]propyl]pentanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]amino]propanoylamino]ethyl]amino]-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethylcarbamoylamino]quinoxaline-2-carboxamide has a molecular weight of 4349.14 g/mol, XLogP of 5.04, 192 rotatable bonds, 30 hydrogen bond donors, and 77 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-6-[2-[2-[2-[3-[2-[2-[2-[6-[[3-[2-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[2-[3-[[3-[2-[[3-[2-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-[6-[2-[2-[2-[3-[2-[2-[2-[[2-[2-(diethylamino)ethylcarbamoyl]quinoxalin-6-yl]carbamoylamino]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-3-oxohexyl]amino]ethylamino]-3-oxopropyl]-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[[5-[(2,3-dihydroxybenzoyl)amino]-2,2-bis[3-[(2,3-dihydroxybenzoyl)amino]propyl]pentanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]amino]propanoylamino]ethyl]amino]-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethylcarbamoylamino]quinoxaline-2-carboxamide is sourced from PubChem (CID 140732599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).