1-(4-chlorophenyl)-N-ethyl-9H-pyrido[3,4-b]indole-3-carboxamide

C20H16ClN3O — CID 172750422

IUPAC1-(4-chlorophenyl)-N-ethyl-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCCNC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H16ClN3O/c1-2-22-20(25)17-11-15-14-5-3-4-6-16(14)23-19(15)18(24-17)12-7-9-13(21)10-8-12/h3-11,23H,2H2,1H3,(H,22,25)
InChIKeyKHHJZYZZFGIMKA-UHFFFAOYSA-N
MW349.82 g/mol
LogP4.79
Rot. Bonds3

About 1-(4-chlorophenyl)-N-ethyl-9H-pyrido[3,4-b]indole-3-carboxamide

1-(4-chlorophenyl)-N-ethyl-9H-pyrido[3,4-b]indole-3-carboxamide (PubChem CID 172750422) has the molecular formula C20H16ClN3O and a molecular weight of 349.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-ethyl-9H-pyrido[3,4-b]indole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-ethyl-9H-pyrido[3,4-b]indole-3-carboxamide
PubChem CID172750422
Molecular FormulaC20H16ClN3O
Molecular Weight349.82 g/mol
Exact Mass349.10
IUPAC Name1-(4-chlorophenyl)-N-ethyl-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCCNC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H16ClN3O/c1-2-22-20(25)17-11-15-14-5-3-4-6-16(14)23-19(15)18(24-17)12-7-9-13(21)10-8-12/h3-11,23H,2H2,1H3,(H,22,25)
InChIKeyKHHJZYZZFGIMKA-UHFFFAOYSA-N
XLogP4.79
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-1-(4-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride
CID 153312546
1-(4-fluorophenyl)-9H-pyrido[3,4-b]indole-3-carbohydrazide
CID 141453848
N-[2-(dimethylamino)ethyl]-1-(4-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride
CID 166760645
N-(2-aminoethyl)-1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;ethane-1,2-diamine;1-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]ethanone
CID 158330800
1-phenyl-N-propan-2-yl-9H-pyrido[3,4-b]indole-3-carboxamide
CID 172843390
3-methylsulfanyl-2-[(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoic acid
CID 6217181
2-[(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoic acid
CID 6235795
1-(4-methoxyphenyl)-N-(propan-2-ylideneamino)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 57392198
methyl 1-(4-formylphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 141454158
1-[4-(4-methylsulfonylphenyl)phenyl]-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 176780707
ethyl 1-(3,4-dimethoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 50923214
4-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]benzo[f]isoquinoline-2-carboxamide
CID 102022720

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-ethyl-9H-pyrido[3,4-b]indole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-ethyl-9H-pyrido[3,4-b]indole-3-carboxamide (CID 172750422) is 1-(4-chlorophenyl)-N-ethyl-9H-pyrido[3,4-b]indole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-ethyl-9H-pyrido[3,4-b]indole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-ethyl-9H-pyrido[3,4-b]indole-3-carboxamide is CCNC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-N-ethyl-9H-pyrido[3,4-b]indole-3-carboxamide?
The InChIKey is KHHJZYZZFGIMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O/c1-2-22-20(25)17-11-15-14-5-3-4-6-16(14)23-19(15)18(24-17)12-7-9-13(21)10-8-12/h3-11,23H,2H2,1H3,(H,22,25).
What are the key properties of 1-(4-chlorophenyl)-N-ethyl-9H-pyrido[3,4-b]indole-3-carboxamide?
1-(4-chlorophenyl)-N-ethyl-9H-pyrido[3,4-b]indole-3-carboxamide has a molecular weight of 349.82 g/mol, XLogP of 4.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-ethyl-9H-pyrido[3,4-b]indole-3-carboxamide is sourced from PubChem (CID 172750422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).