N-[(2-aminoquinolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2-aminoquinolin-7-yl)methyl]-9-(2-hydroxyethyl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2-carbamimidoylquinolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2,4-diaminoquinazolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;hydrochloride

C100H106ClN19O5 — CID 165066472

IUPACN-[(2-aminoquinolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2-aminoquinolin-7-yl)methyl]-9-(2-hydroxyethyl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2-carbamimidoylquinolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2,4-diaminoquinazolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;hydrochloride
SMILESCCn1c2c(c3cc(C(=O)NCc4ccc5c(N)nc(N)nc5c4)ccc31)CCCC2.CCn1c2c(c3cc(C(=O)NCc4ccc5ccc(N)nc5c4)ccc31)CCCC2.Cl.Nc1ccc2ccc(CNC(=O)c3ccc4c(c3)c3c(n4CCO)CCCC3)cc2n1.[H]/N=C(\N)c1ccc2ccc(CNC(=O)c3ccc4c(c3)c3c(n4CC)CCCC3)cc2n1
InChIInChI=1S/C26H27N5O.C25H26N4O2.C25H26N4O.C24H26N6O.ClH/c1-2-31-23-6-4-3-5-19(23)20-14-18(10-12-24(20)31)26(32)29-15-16-7-8-17-9-11-21(25(27)28)30-22(17)13-16;26-24-10-8-17-6-5-16(13-21(17)28-24)15-27-25(31)18-7-9-23-20(14-18)19-3-1-2-4-22(19)29(23)11-12-30;1-2-29-22-6-4-3-5-19(22)20-14-18(9-11-23(20)29)25(30)27-15-16-7-8-17-10-12-24(26)28-21(17)13-16;1-2-30-20-6-4-3-5-16(20)18-12-15(8-10-21(18)30)23(31)27-13-14-7-9-17-19(11-14)28-24(26)29-22(17)25;/h7-14H,2-6,15H2,1H3,(H3,27,28)(H,29,32);5-10,13-14,30H,1-4,11-12,15H2,(H2,26,28)(H,27,31);7-14H,2-6,15H2,1H3,(H2,26,28)(H,27,30);7-12H,2-6,13H2,1H3,(H,27,31)(H4,25,26,28,29);1H
InChIKeyYOLXCUZGAQSKFH-UHFFFAOYSA-N
MW1689.53 g/mol
LogP16.47
Rot. Bonds18

About N-[(2-aminoquinolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2-aminoquinolin-7-yl)methyl]-9-(2-hydroxyethyl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2-carbamimidoylquinolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2,4-diaminoquinazolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;hydrochloride

N-[(2-aminoquinolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2-aminoquinolin-7-yl)methyl]-9-(2-hydroxyethyl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2-carbamimidoylquinolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2,4-diaminoquinazolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;hydrochloride (PubChem CID 165066472) has the molecular formula C100H106ClN19O5 and a molecular weight of 1689.53 g/mol. Its IUPAC name is N-[(2-aminoquinolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2-aminoquinolin-7-yl)methyl]-9-(2-hydroxyethyl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2-carbamimidoylquinolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2,4-diaminoquinazolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2-aminoquinolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2-aminoquinolin-7-yl)methyl]-9-(2-hydroxyethyl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2-carbamimidoylquinolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2,4-diaminoquinazolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;hydrochloride
PubChem CID165066472
Molecular FormulaC100H106ClN19O5
Molecular Weight1689.53 g/mol
Exact Mass1687.83
IUPAC NameN-[(2-aminoquinolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2-aminoquinolin-7-yl)methyl]-9-(2-hydroxyethyl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2-carbamimidoylquinolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2,4-diaminoquinazolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;hydrochloride
SMILESCCn1c2c(c3cc(C(=O)NCc4ccc5c(N)nc(N)nc5c4)ccc31)CCCC2.CCn1c2c(c3cc(C(=O)NCc4ccc5ccc(N)nc5c4)ccc31)CCCC2.Cl.Nc1ccc2ccc(CNC(=O)c3ccc4c(c3)c3c(n4CCO)CCCC3)cc2n1.[H]/N=C(\N)c1ccc2ccc(CNC(=O)c3ccc4c(c3)c3c(n4CC)CCCC3)cc2n1
InChIInChI=1S/C26H27N5O.C25H26N4O2.C25H26N4O.C24H26N6O.ClH/c1-2-31-23-6-4-3-5-19(23)20-14-18(10-12-24(20)31)26(32)29-15-16-7-8-17-9-11-21(25(27)28)30-22(17)13-16;26-24-10-8-17-6-5-16(13-21(17)28-24)15-27-25(31)18-7-9-23-20(14-18)19-3-1-2-4-22(19)29(23)11-12-30;1-2-29-22-6-4-3-5-19(22)20-14-18(9-11-23(20)29)25(30)27-15-16-7-8-17-10-12-24(26)28-21(17)13-16;1-2-30-20-6-4-3-5-16(20)18-12-15(8-10-21(18)30)23(31)27-13-14-7-9-17-19(11-14)28-24(26)29-22(17)25;/h7-14H,2-6,15H2,1H3,(H3,27,28)(H,29,32);5-10,13-14,30H,1-4,11-12,15H2,(H2,26,28)(H,27,31);7-14H,2-6,15H2,1H3,(H2,26,28)(H,27,30);7-12H,2-6,13H2,1H3,(H,27,31)(H4,25,26,28,29);1H
InChIKeyYOLXCUZGAQSKFH-UHFFFAOYSA-N
XLogP16.47
TPSA374.75 Ų
H-Bond Donors11
H-Bond Acceptors19
Rotatable Bonds18
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001689.53
LogP ≤ 516.47
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[(2-aminoquinolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2-aminoquinolin-7-yl)methyl]-9-(2-hydroxyethyl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2-carbamimidoylquinolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2,4-diaminoquinazolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;hydrochloride 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

N-[(3-aminoisoquinolin-6-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-2-carboxamide
CID 172622963
N-[(1,3-diaminoisoquinolin-6-yl)methyl]-2,5-diethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxamide
CID 172622973
N-[(2,4-diaminoquinazolin-6-yl)methyl]-9-ethylcarbazole-2-carboxamide
CID 172623319
N-[[1-amino-3-(methylamino)isoquinolin-7-yl]methyl]-9-ethyl-8-oxo-6,7-dihydro-5H-carbazole-3-carboxamide
CID 172623081
6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2-carbamimidoylquinolin-7-yl)methyl]pyrimidine-4-carboxamide
CID 165056236
N-[(2-aminoquinazolin-6-yl)methyl]-9-ethylcarbazole-2-carboxamide
CID 172623172
9-methyl-N-[[3-(methylamino)isoquinolin-7-yl]methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 172623284
4-ethyl-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid
CID 83946840
N-[(2-aminoquinazolin-6-yl)methyl]-1-ethylindole-5-carboxamide
CID 172623119
N-[(1,3-diaminoisoquinolin-7-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 172622961
3,4-dichloro-N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide
CID 599695
N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide
CID 172623055

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminoquinolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2-aminoquinolin-7-yl)methyl]-9-(2-hydroxyethyl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2-carbamimidoylquinolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2,4-diaminoquinazolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;hydrochloride?
The IUPAC name of N-[(2-aminoquinolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2-aminoquinolin-7-yl)methyl]-9-(2-hydroxyethyl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2-carbamimidoylquinolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2,4-diaminoquinazolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;hydrochloride (CID 165066472) is N-[(2-aminoquinolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2-aminoquinolin-7-yl)methyl]-9-(2-hydroxyethyl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2-carbamimidoylquinolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2,4-diaminoquinazolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2-aminoquinolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2-aminoquinolin-7-yl)methyl]-9-(2-hydroxyethyl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2-carbamimidoylquinolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2,4-diaminoquinazolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(2-aminoquinolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2-aminoquinolin-7-yl)methyl]-9-(2-hydroxyethyl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2-carbamimidoylquinolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2,4-diaminoquinazolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;hydrochloride is CCn1c2c(c3cc(C(=O)NCc4ccc5c(N)nc(N)nc5c4)ccc31)CCCC2.CCn1c2c(c3cc(C(=O)NCc4ccc5ccc(N)nc5c4)ccc31)CCCC2.Cl.Nc1ccc2ccc(CNC(=O)c3ccc4c(c3)c3c(n4CCO)CCCC3)cc2n1.[H]/N=C(\N)c1ccc2ccc(CNC(=O)c3ccc4c(c3)c3c(n4CC)CCCC3)cc2n1.
What is the InChIKey of N-[(2-aminoquinolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2-aminoquinolin-7-yl)methyl]-9-(2-hydroxyethyl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2-carbamimidoylquinolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2,4-diaminoquinazolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;hydrochloride?
The InChIKey is YOLXCUZGAQSKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O.C25H26N4O2.C25H26N4O.C24H26N6O.ClH/c1-2-31-23-6-4-3-5-19(23)20-14-18(10-12-24(20)31)26(32)29-15-16-7-8-17-9-11-21(25(27)28)30-22(17)13-16;26-24-10-8-17-6-5-16(13-21(17)28-24)15-27-25(31)18-7-9-23-20(14-18)19-3-1-2-4-22(19)29(23)11-12-30;1-2-29-22-6-4-3-5-19(22)20-14-18(9-11-23(20)29)25(30)27-15-16-7-8-17-10-12-24(26)28-21(17)13-16;1-2-30-20-6-4-3-5-16(20)18-12-15(8-10-21(18)30)23(31)27-13-14-7-9-17-19(11-14)28-24(26)29-22(17)25;/h7-14H,2-6,15H2,1H3,(H3,27,28)(H,29,32);5-10,13-14,30H,1-4,11-12,15H2,(H2,26,28)(H,27,31);7-14H,2-6,15H2,1H3,(H2,26,28)(H,27,30);7-12H,2-6,13H2,1H3,(H,27,31)(H4,25,26,28,29);1H.
What are the key properties of N-[(2-aminoquinolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2-aminoquinolin-7-yl)methyl]-9-(2-hydroxyethyl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2-carbamimidoylquinolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2,4-diaminoquinazolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;hydrochloride?
N-[(2-aminoquinolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2-aminoquinolin-7-yl)methyl]-9-(2-hydroxyethyl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2-carbamimidoylquinolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2,4-diaminoquinazolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;hydrochloride has a molecular weight of 1689.53 g/mol, XLogP of 16.47, 18 rotatable bonds, 11 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminoquinolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2-aminoquinolin-7-yl)methyl]-9-(2-hydroxyethyl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2-carbamimidoylquinolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;N-[(2,4-diaminoquinazolin-7-yl)methyl]-9-ethyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 165066472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).