6,7-diethoxy-4-[2-ethyl-3-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]anilino]quinoline-3-carboxamide;4-[3-[[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]methyl]-2-ethylanilino]-6,7-diethoxyquinoline-3-carboxamide

C62H84N10O9 — CID 87881461

IUPAC6,7-diethoxy-4-[2-ethyl-3-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]anilino]quinoline-3-carboxamide;4-[3-[[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]methyl]-2-ethylanilino]-6,7-diethoxyquinoline-3-carboxamide
SMILESCCOc1cc2ncc(C(N)=O)c(Nc3cccc(CN4CCN(CCN5CCOCC5)CC4)c3CC)c2cc1OCC.CCOc1cc2ncc(C(N)=O)c(Nc3cccc(CNCC4COC(C)(C)O4)c3CC)c2cc1OCC
InChIInChI=1S/C33H46N6O4.C29H38N4O5/c1-4-25-24(23-39-14-12-37(13-15-39)10-11-38-16-18-41-19-17-38)8-7-9-28(25)36-32-26-20-30(42-5-2)31(43-6-3)21-29(26)35-22-27(32)33(34)40;1-6-20-18(14-31-15-19-17-37-29(4,5)38-19)10-9-11-23(20)33-27-21-12-25(35-7-2)26(36-8-3)13-24(21)32-16-22(27)28(30)34/h7-9,20-22H,4-6,10-19,23H2,1-3H3,(H2,34,40)(H,35,36);9-13,16,19,31H,6-8,14-15,17H2,1-5H3,(H2,30,34)(H,32,33)
InChIKeyBMPZAEDJOAHCKE-UHFFFAOYSA-N
MW1113.41 g/mol
LogP8.57
Rot. Bonds25

About 6,7-diethoxy-4-[2-ethyl-3-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]anilino]quinoline-3-carboxamide;4-[3-[[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]methyl]-2-ethylanilino]-6,7-diethoxyquinoline-3-carboxamide

6,7-diethoxy-4-[2-ethyl-3-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]anilino]quinoline-3-carboxamide;4-[3-[[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]methyl]-2-ethylanilino]-6,7-diethoxyquinoline-3-carboxamide (PubChem CID 87881461) has the molecular formula C62H84N10O9 and a molecular weight of 1113.41 g/mol. Its IUPAC name is 6,7-diethoxy-4-[2-ethyl-3-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]anilino]quinoline-3-carboxamide;4-[3-[[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]methyl]-2-ethylanilino]-6,7-diethoxyquinoline-3-carboxamide.

Molecular Properties

Compound Name6,7-diethoxy-4-[2-ethyl-3-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]anilino]quinoline-3-carboxamide;4-[3-[[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]methyl]-2-ethylanilino]-6,7-diethoxyquinoline-3-carboxamide
PubChem CID87881461
Molecular FormulaC62H84N10O9
Molecular Weight1113.41 g/mol
Exact Mass1112.64
IUPAC Name6,7-diethoxy-4-[2-ethyl-3-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]anilino]quinoline-3-carboxamide;4-[3-[[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]methyl]-2-ethylanilino]-6,7-diethoxyquinoline-3-carboxamide
SMILESCCOc1cc2ncc(C(N)=O)c(Nc3cccc(CN4CCN(CCN5CCOCC5)CC4)c3CC)c2cc1OCC.CCOc1cc2ncc(C(N)=O)c(Nc3cccc(CNCC4COC(C)(C)O4)c3CC)c2cc1OCC
InChIInChI=1S/C33H46N6O4.C29H38N4O5/c1-4-25-24(23-39-14-12-37(13-15-39)10-11-38-16-18-41-19-17-38)8-7-9-28(25)36-32-26-20-30(42-5-2)31(43-6-3)21-29(26)35-22-27(32)33(34)40;1-6-20-18(14-31-15-19-17-37-29(4,5)38-19)10-9-11-23(20)33-27-21-12-25(35-7-2)26(36-8-3)13-24(21)32-16-22(27)28(30)34/h7-9,20-22H,4-6,10-19,23H2,1-3H3,(H2,34,40)(H,35,36);9-13,16,19,31H,6-8,14-15,17H2,1-5H3,(H2,30,34)(H,32,33)
InChIKeyBMPZAEDJOAHCKE-UHFFFAOYSA-N
XLogP8.57
TPSA222.38 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds25
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001113.41
LogP ≤ 58.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Analyze 6,7-diethoxy-4-[2-ethyl-3-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]anilino]quinoline-3-carboxamide;4-[3-[[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]methyl]-2-ethylanilino]-6,7-diethoxyquinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tariquidar
CID 148201
Genz-644282
CID 10294813
Quinostatin
CID 6620134
21-[2-(Ethylamino)ethyl]-16,17-dimethoxy-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-one
CID 11316140
16,17-Dimethoxy-21-[2-(propan-2-ylamino)ethyl]-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-one
CID 11351043
21-[2-[[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]ethyl]-16,17-dimethoxy-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-one
CID 44448950
4-anilino-7-methoxy-N-methyl-6-[(4-methylpiperazin-1-yl)methoxy]quinoline-3-carboxamide
CID 162661735
10-Amino-2,3-Methylenedioxy-5-[2-(N,N-Dimethylamino)Ethyl]-5H-Dibenzo[c,h][1,6]Naphthyridin-6-One
CID 11025207
8-Amino-2,3-Methylenedioxy-5-[2-(N,N-dimethylamino)ethyl]-5H-dibenzo[c,h][1,6]naphthyridin-6-one
CID 11047052
9-Amino-2,3-Methylenedioxy-5-[2-(N,N-Dimethylamino)Ethyl]-5H-Dibenzo[c,h][1,6]Naphthyridin-6-One
CID 11079326
5-(2-Dimethylaminoethyl)-2,3-methylenedioxy-5h-dibenzo[c,h][1,6]naphthyridin-6-one
CID 11121987
6,7-Dimethoxy-4-[4-(4-phenoxy-phenylcarbamoyl)-piperazin-1-yl]-quinoline-3-carboxylic acid ethyl ester
CID 11157185

Frequently Asked Questions

What is the IUPAC name of 6,7-diethoxy-4-[2-ethyl-3-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]anilino]quinoline-3-carboxamide;4-[3-[[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]methyl]-2-ethylanilino]-6,7-diethoxyquinoline-3-carboxamide?
The IUPAC name of 6,7-diethoxy-4-[2-ethyl-3-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]anilino]quinoline-3-carboxamide;4-[3-[[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]methyl]-2-ethylanilino]-6,7-diethoxyquinoline-3-carboxamide (CID 87881461) is 6,7-diethoxy-4-[2-ethyl-3-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]anilino]quinoline-3-carboxamide;4-[3-[[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]methyl]-2-ethylanilino]-6,7-diethoxyquinoline-3-carboxamide.
What is the SMILES notation for 6,7-diethoxy-4-[2-ethyl-3-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]anilino]quinoline-3-carboxamide;4-[3-[[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]methyl]-2-ethylanilino]-6,7-diethoxyquinoline-3-carboxamide?
The canonical SMILES for 6,7-diethoxy-4-[2-ethyl-3-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]anilino]quinoline-3-carboxamide;4-[3-[[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]methyl]-2-ethylanilino]-6,7-diethoxyquinoline-3-carboxamide is CCOc1cc2ncc(C(N)=O)c(Nc3cccc(CN4CCN(CCN5CCOCC5)CC4)c3CC)c2cc1OCC.CCOc1cc2ncc(C(N)=O)c(Nc3cccc(CNCC4COC(C)(C)O4)c3CC)c2cc1OCC.
What is the InChIKey of 6,7-diethoxy-4-[2-ethyl-3-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]anilino]quinoline-3-carboxamide;4-[3-[[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]methyl]-2-ethylanilino]-6,7-diethoxyquinoline-3-carboxamide?
The InChIKey is BMPZAEDJOAHCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H46N6O4.C29H38N4O5/c1-4-25-24(23-39-14-12-37(13-15-39)10-11-38-16-18-41-19-17-38)8-7-9-28(25)36-32-26-20-30(42-5-2)31(43-6-3)21-29(26)35-22-27(32)33(34)40;1-6-20-18(14-31-15-19-17-37-29(4,5)38-19)10-9-11-23(20)33-27-21-12-25(35-7-2)26(36-8-3)13-24(21)32-16-22(27)28(30)34/h7-9,20-22H,4-6,10-19,23H2,1-3H3,(H2,34,40)(H,35,36);9-13,16,19,31H,6-8,14-15,17H2,1-5H3,(H2,30,34)(H,32,33).
What are the key properties of 6,7-diethoxy-4-[2-ethyl-3-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]anilino]quinoline-3-carboxamide;4-[3-[[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]methyl]-2-ethylanilino]-6,7-diethoxyquinoline-3-carboxamide?
6,7-diethoxy-4-[2-ethyl-3-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]anilino]quinoline-3-carboxamide;4-[3-[[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]methyl]-2-ethylanilino]-6,7-diethoxyquinoline-3-carboxamide has a molecular weight of 1113.41 g/mol, XLogP of 8.57, 25 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethoxy-4-[2-ethyl-3-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]anilino]quinoline-3-carboxamide;4-[3-[[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]methyl]-2-ethylanilino]-6,7-diethoxyquinoline-3-carboxamide is sourced from PubChem (CID 87881461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).