4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[2-(dimethylamino)ethoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-[4-(2-methoxyethyl)piperazin-1-yl]propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-phenylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(2-piperidin-1-ylethoxy)quinoline-6-carboxamide

C177H206Cl5N23O21 — CID 159024654

IUPAC4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[2-(dimethylamino)ethoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-[4-(2-methoxyethyl)piperazin-1-yl]propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-phenylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(2-piperidin-1-ylethoxy)quinoline-6-carboxamide
SMILESCC(C)(C)C1=NCC(CC(=O)Cc2ccc(Oc3ccnc4cc(OCCCN5CCN(c6ccccc6)CC5)c(C(N)=O)cc34)cc2Cl)=C1.CC(C)(C)C1=NCC(CC(=O)Cc2ccc(Oc3ccnc4cc(OCCN5CCCCC5)c(C(N)=O)cc34)cc2Cl)=C1.CN(C)CCOc1cc2nccc(Oc3ccc(CC(=O)CC4=CC(C(C)(C)C)=NC4)c(Cl)c3)c2cc1C(N)=O.CN1CCN(CCCOc2cc3nccc(Oc4ccc(CC(=O)CC5=CC(C(C)(C)C)=NC5)c(Cl)c4)c3cc2C(N)=O)CC1.COCCN1CCN(CCCOc2cc3nccc(Oc4ccc(CC(=O)CC5=CC(C(C)(C)C)=NC5)c(Cl)c4)c3cc2C(N)=O)CC1
InChIInChI=1S/C40H44ClN5O4.C37H46ClN5O5.C35H42ClN5O4.C34H39ClN4O4.C31H35ClN4O4/c1-40(2,3)38-21-27(26-44-38)20-30(47)22-28-10-11-31(23-34(28)41)50-36-12-13-43-35-25-37(33(39(42)48)24-32(35)36)49-19-7-14-45-15-17-46(18-16-45)29-8-5-4-6-9-29;1-37(2,3)35-19-25(24-41-35)18-27(44)20-26-6-7-28(21-31(26)38)48-33-8-9-40-32-23-34(30(36(39)45)22-29(32)33)47-16-5-10-42-11-13-43(14-12-42)15-17-46-4;1-35(2,3)33-17-23(22-39-33)16-25(42)18-24-6-7-26(19-29(24)36)45-31-8-9-38-30-21-32(28(34(37)43)20-27(30)31)44-15-5-10-41-13-11-40(4)12-14-41;1-34(2,3)32-16-22(21-38-32)15-24(40)17-23-7-8-25(18-28(23)35)43-30-9-10-37-29-20-31(27(33(36)41)19-26(29)30)42-14-13-39-11-5-4-6-12-39;1-31(2,3)29-13-19(18-35-29)12-21(37)14-20-6-7-22(15-25(20)32)40-27-8-9-34-26-17-28(39-11-10-36(4)5)24(30(33)38)16-23(26)27/h4-6,8-13,21,23-25H,7,14-20,22,26H2,1-3H3,(H2,42,48);6-9,19,21-23H,5,10-18,20,24H2,1-4H3,(H2,39,45);6-9,17,19-21H,5,10-16,18,22H2,1-4H3,(H2,37,43);7-10,16,18-20H,4-6,11-15,17,21H2,1-3H3,(H2,36,41);6-9,13,15-17H,10-12,14,18H2,1-5H3,(H2,33,38)
InChIKeyJUDCKSNBOHQGHN-UHFFFAOYSA-N
MW3169.00 g/mol
LogP30.99
Rot. Bonds62

About 4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[2-(dimethylamino)ethoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-[4-(2-methoxyethyl)piperazin-1-yl]propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-phenylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(2-piperidin-1-ylethoxy)quinoline-6-carboxamide

4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[2-(dimethylamino)ethoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-[4-(2-methoxyethyl)piperazin-1-yl]propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-phenylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(2-piperidin-1-ylethoxy)quinoline-6-carboxamide (PubChem CID 159024654) has the molecular formula C177H206Cl5N23O21 and a molecular weight of 3169.00 g/mol. Its IUPAC name is 4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[2-(dimethylamino)ethoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-[4-(2-methoxyethyl)piperazin-1-yl]propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-phenylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(2-piperidin-1-ylethoxy)quinoline-6-carboxamide.

Molecular Properties

Compound Name4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[2-(dimethylamino)ethoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-[4-(2-methoxyethyl)piperazin-1-yl]propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-phenylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(2-piperidin-1-ylethoxy)quinoline-6-carboxamide
PubChem CID159024654
Molecular FormulaC177H206Cl5N23O21
Molecular Weight3169.00 g/mol
Exact Mass3164.42
IUPAC Name4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[2-(dimethylamino)ethoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-[4-(2-methoxyethyl)piperazin-1-yl]propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-phenylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(2-piperidin-1-ylethoxy)quinoline-6-carboxamide
SMILESCC(C)(C)C1=NCC(CC(=O)Cc2ccc(Oc3ccnc4cc(OCCCN5CCN(c6ccccc6)CC5)c(C(N)=O)cc34)cc2Cl)=C1.CC(C)(C)C1=NCC(CC(=O)Cc2ccc(Oc3ccnc4cc(OCCN5CCCCC5)c(C(N)=O)cc34)cc2Cl)=C1.CN(C)CCOc1cc2nccc(Oc3ccc(CC(=O)CC4=CC(C(C)(C)C)=NC4)c(Cl)c3)c2cc1C(N)=O.CN1CCN(CCCOc2cc3nccc(Oc4ccc(CC(=O)CC5=CC(C(C)(C)C)=NC5)c(Cl)c4)c3cc2C(N)=O)CC1.COCCN1CCN(CCCOc2cc3nccc(Oc4ccc(CC(=O)CC5=CC(C(C)(C)C)=NC5)c(Cl)c4)c3cc2C(N)=O)CC1
InChIInChI=1S/C40H44ClN5O4.C37H46ClN5O5.C35H42ClN5O4.C34H39ClN4O4.C31H35ClN4O4/c1-40(2,3)38-21-27(26-44-38)20-30(47)22-28-10-11-31(23-34(28)41)50-36-12-13-43-35-25-37(33(39(42)48)24-32(35)36)49-19-7-14-45-15-17-46(18-16-45)29-8-5-4-6-9-29;1-37(2,3)35-19-25(24-41-35)18-27(44)20-26-6-7-28(21-31(26)38)48-33-8-9-40-32-23-34(30(36(39)45)22-29(32)33)47-16-5-10-42-11-13-43(14-12-42)15-17-46-4;1-35(2,3)33-17-23(22-39-33)16-25(42)18-24-6-7-26(19-29(24)36)45-31-8-9-38-30-21-32(28(34(37)43)20-27(30)31)44-15-5-10-41-13-11-40(4)12-14-41;1-34(2,3)32-16-22(21-38-32)15-24(40)17-23-7-8-25(18-28(23)35)43-30-9-10-37-29-20-31(27(33(36)41)19-26(29)30)42-14-13-39-11-5-4-6-12-39;1-31(2,3)29-13-19(18-35-29)12-21(37)14-20-6-7-22(15-25(20)32)40-27-8-9-34-26-17-28(39-11-10-36(4)5)24(30(33)38)16-23(26)27/h4-6,8-13,21,23-25H,7,14-20,22,26H2,1-3H3,(H2,42,48);6-9,19,21-23H,5,10-18,20,24H2,1-4H3,(H2,39,45);6-9,17,19-21H,5,10-16,18,22H2,1-4H3,(H2,37,43);7-10,16,18-20H,4-6,11-15,17,21H2,1-3H3,(H2,36,41);6-9,13,15-17H,10-12,14,18H2,1-5H3,(H2,33,38)
InChIKeyJUDCKSNBOHQGHN-UHFFFAOYSA-N
XLogP30.99
TPSA554.50 Ų
H-Bond Donors5
H-Bond Acceptors39
Rotatable Bonds62
Heavy Atoms226
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003169.00
LogP ≤ 530.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[2-(dimethylamino)ethoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-[4-(2-methoxyethyl)piperazin-1-yl]propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-phenylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(2-piperidin-1-ylethoxy)quinoline-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-hydroxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-phenylmethoxyquinoline-6-carboxamide;2,2,2-trifluoroacetaldehyde
CID 157371862
4-[3-Chloro-4-[[2-(2,2-difluoroethylamino)-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[2-[2-(dimethylamino)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-(2-phenylethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-[3-(trifluoromethyl)anilino]cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;7-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenoxy]quinoline-6-carboxamide
CID 160999443
4-[3-Chloro-4-[[2-(2-cyanoethylamino)-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[2-(cyclobutylamino)-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[2-[2-(dimethylamino)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-(pyridin-2-ylmethylamino)cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide;4-[3-chloro-4-[[3,4-dioxo-2-[3-(trifluoromethyl)anilino]cyclobuten-1-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 162109323
4-[3-chloro-4-(2-oxopentyl)phenoxy]-N-methoxy-7-phenylmethoxyquinoline-6-carboxamide
CID 58272154
4-[3-chloro-4-(2-oxobutyl)phenoxy]-N-ethyl-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-6-carboxamide
CID 58272202
4-[3-chloro-4-(2-oxopentyl)phenoxy]-N-methyl-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-6-carboxamide
CID 58272246
4-[3-chloro-4-(2-oxopentyl)phenoxy]-N-methyl-7-phenylmethoxyquinoline-6-carboxamide
CID 58272308
4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-N-methyl-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-6-carboxamide
CID 58272500
4-[3-chloro-4-(2-oxobutyl)phenoxy]-N-methyl-7-phenylmethoxyquinoline-6-carboxamide
CID 58272523
4-[3-chloro-4-(2-oxopentyl)phenoxy]-N-ethyl-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-6-carboxamide
CID 58272535
4-[3-chloro-4-(2-oxobutyl)phenoxy]-N-methyl-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-6-carboxamide
CID 58272626
4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-[4-(2-methylpropyl)piperazin-1-yl]propoxy]quinoline-6-carboxamide
CID 146993508

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[2-(dimethylamino)ethoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-[4-(2-methoxyethyl)piperazin-1-yl]propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-phenylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(2-piperidin-1-ylethoxy)quinoline-6-carboxamide?
The IUPAC name of 4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[2-(dimethylamino)ethoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-[4-(2-methoxyethyl)piperazin-1-yl]propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-phenylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(2-piperidin-1-ylethoxy)quinoline-6-carboxamide (CID 159024654) is 4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[2-(dimethylamino)ethoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-[4-(2-methoxyethyl)piperazin-1-yl]propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-phenylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(2-piperidin-1-ylethoxy)quinoline-6-carboxamide.
What is the SMILES notation for 4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[2-(dimethylamino)ethoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-[4-(2-methoxyethyl)piperazin-1-yl]propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-phenylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(2-piperidin-1-ylethoxy)quinoline-6-carboxamide?
The canonical SMILES for 4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[2-(dimethylamino)ethoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-[4-(2-methoxyethyl)piperazin-1-yl]propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-phenylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(2-piperidin-1-ylethoxy)quinoline-6-carboxamide is CC(C)(C)C1=NCC(CC(=O)Cc2ccc(Oc3ccnc4cc(OCCCN5CCN(c6ccccc6)CC5)c(C(N)=O)cc34)cc2Cl)=C1.CC(C)(C)C1=NCC(CC(=O)Cc2ccc(Oc3ccnc4cc(OCCN5CCCCC5)c(C(N)=O)cc34)cc2Cl)=C1.CN(C)CCOc1cc2nccc(Oc3ccc(CC(=O)CC4=CC(C(C)(C)C)=NC4)c(Cl)c3)c2cc1C(N)=O.CN1CCN(CCCOc2cc3nccc(Oc4ccc(CC(=O)CC5=CC(C(C)(C)C)=NC5)c(Cl)c4)c3cc2C(N)=O)CC1.COCCN1CCN(CCCOc2cc3nccc(Oc4ccc(CC(=O)CC5=CC(C(C)(C)C)=NC5)c(Cl)c4)c3cc2C(N)=O)CC1.
What is the InChIKey of 4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[2-(dimethylamino)ethoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-[4-(2-methoxyethyl)piperazin-1-yl]propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-phenylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(2-piperidin-1-ylethoxy)quinoline-6-carboxamide?
The InChIKey is JUDCKSNBOHQGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H44ClN5O4.C37H46ClN5O5.C35H42ClN5O4.C34H39ClN4O4.C31H35ClN4O4/c1-40(2,3)38-21-27(26-44-38)20-30(47)22-28-10-11-31(23-34(28)41)50-36-12-13-43-35-25-37(33(39(42)48)24-32(35)36)49-19-7-14-45-15-17-46(18-16-45)29-8-5-4-6-9-29;1-37(2,3)35-19-25(24-41-35)18-27(44)20-26-6-7-28(21-31(26)38)48-33-8-9-40-32-23-34(30(36(39)45)22-29(32)33)47-16-5-10-42-11-13-43(14-12-42)15-17-46-4;1-35(2,3)33-17-23(22-39-33)16-25(42)18-24-6-7-26(19-29(24)36)45-31-8-9-38-30-21-32(28(34(37)43)20-27(30)31)44-15-5-10-41-13-11-40(4)12-14-41;1-34(2,3)32-16-22(21-38-32)15-24(40)17-23-7-8-25(18-28(23)35)43-30-9-10-37-29-20-31(27(33(36)41)19-26(29)30)42-14-13-39-11-5-4-6-12-39;1-31(2,3)29-13-19(18-35-29)12-21(37)14-20-6-7-22(15-25(20)32)40-27-8-9-34-26-17-28(39-11-10-36(4)5)24(30(33)38)16-23(26)27/h4-6,8-13,21,23-25H,7,14-20,22,26H2,1-3H3,(H2,42,48);6-9,19,21-23H,5,10-18,20,24H2,1-4H3,(H2,39,45);6-9,17,19-21H,5,10-16,18,22H2,1-4H3,(H2,37,43);7-10,16,18-20H,4-6,11-15,17,21H2,1-3H3,(H2,36,41);6-9,13,15-17H,10-12,14,18H2,1-5H3,(H2,33,38).
What are the key properties of 4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[2-(dimethylamino)ethoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-[4-(2-methoxyethyl)piperazin-1-yl]propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-phenylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(2-piperidin-1-ylethoxy)quinoline-6-carboxamide?
4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[2-(dimethylamino)ethoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-[4-(2-methoxyethyl)piperazin-1-yl]propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-phenylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(2-piperidin-1-ylethoxy)quinoline-6-carboxamide has a molecular weight of 3169.00 g/mol, XLogP of 30.99, 62 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[2-(dimethylamino)ethoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-[4-(2-methoxyethyl)piperazin-1-yl]propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-[3-(4-phenylpiperazin-1-yl)propoxy]quinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chlorophenoxy]-7-(2-piperidin-1-ylethoxy)quinoline-6-carboxamide is sourced from PubChem (CID 159024654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).