N-(3-chloro-4-methoxyphenyl)-2-cyclohexyl-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide

C26H26ClN3O3 — CID 20851904

IUPACN-(3-chloro-4-methoxyphenyl)-2-cyclohexyl-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(C3CCCCC3)c(=O)c3c2c2ccccc2n3C)cc1Cl
InChIInChI=1S/C26H26ClN3O3/c1-29-21-11-7-6-10-18(21)23-19(25(31)28-16-12-13-22(33-2)20(27)14-16)15-30(26(32)24(23)29)17-8-4-3-5-9-17/h6-7,10-15,17H,3-5,8-9H2,1-2H3,(H,28,31)
InChIKeyYLNCGVNUWHGIOU-UHFFFAOYSA-N
MW463.97 g/mol
LogP5.91
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-2-cyclohexyl-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide

N-(3-chloro-4-methoxyphenyl)-2-cyclohexyl-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide (PubChem CID 20851904) has the molecular formula C26H26ClN3O3 and a molecular weight of 463.97 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-cyclohexyl-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-cyclohexyl-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide
PubChem CID20851904
Molecular FormulaC26H26ClN3O3
Molecular Weight463.97 g/mol
Exact Mass463.17
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-cyclohexyl-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(C3CCCCC3)c(=O)c3c2c2ccccc2n3C)cc1Cl
InChIInChI=1S/C26H26ClN3O3/c1-29-21-11-7-6-10-18(21)23-19(25(31)28-16-12-13-22(33-2)20(27)14-16)15-30(26(32)24(23)29)17-8-4-3-5-9-17/h6-7,10-15,17H,3-5,8-9H2,1-2H3,(H,28,31)
InChIKeyYLNCGVNUWHGIOU-UHFFFAOYSA-N
XLogP5.91
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.97
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-chloro-4-methoxyphenyl)-2-cyclohexyl-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide with MolForge

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Related Compounds

2-cyclopentyl-N-(3,3-diethoxypropyl)-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide
CID 46251156
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CID 15998477
2-cyclopentyl-9-methyl-1-oxo-N-[(1-phenylcyclopentyl)methyl]pyrido[3,4-b]indole-4-carboxamide
CID 20851898
2-cyclopentyl-9-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-1-oxopyrido[3,4-b]indole-4-carboxamide
CID 15997197
N-(3-chloro-4-methoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2712877
N-(4-ethylphenyl)-2,9-dimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide
CID 15994236
N-(3-chloro-4-methoxyphenyl)-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide
CID 122175567
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CID 20858176
N-[3-(azepan-1-yl)propyl]-3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxopyridazino[4,5-b]indole-1-carboxamide
CID 20858127
N'-(3-chloro-4-methoxyphenyl)-N-cyclohexylpropanediamide
CID 108942612
N'-(3-chloro-4-methoxyphenyl)-N-cycloheptylpropanediamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-cyclohexyl-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-cyclohexyl-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide (CID 20851904) is N-(3-chloro-4-methoxyphenyl)-2-cyclohexyl-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-cyclohexyl-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-cyclohexyl-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide is COc1ccc(NC(=O)c2cn(C3CCCCC3)c(=O)c3c2c2ccccc2n3C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-cyclohexyl-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide?
The InChIKey is YLNCGVNUWHGIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O3/c1-29-21-11-7-6-10-18(21)23-19(25(31)28-16-12-13-22(33-2)20(27)14-16)15-30(26(32)24(23)29)17-8-4-3-5-9-17/h6-7,10-15,17H,3-5,8-9H2,1-2H3,(H,28,31).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-cyclohexyl-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide?
N-(3-chloro-4-methoxyphenyl)-2-cyclohexyl-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide has a molecular weight of 463.97 g/mol, XLogP of 5.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-cyclohexyl-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide is sourced from PubChem (CID 20851904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).