N-[(3-chlorophenyl)methyl]-9-ethylpyrido[3,4-b]indole-7-carboxamide

C21H18ClN3O — CID 121363768

IUPACN-[(3-chlorophenyl)methyl]-9-ethylpyrido[3,4-b]indole-7-carboxamide
SMILESCCn1c2cnccc2c2ccc(C(=O)NCc3cccc(Cl)c3)cc21
InChIInChI=1S/C21H18ClN3O/c1-2-25-19-11-15(6-7-17(19)18-8-9-23-13-20(18)25)21(26)24-12-14-4-3-5-16(22)10-14/h3-11,13H,2,12H2,1H3,(H,24,26)
InChIKeyZUOQOICMRPWBMS-UHFFFAOYSA-N
MW363.85 g/mol
LogP4.79
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-9-ethylpyrido[3,4-b]indole-7-carboxamide

N-[(3-chlorophenyl)methyl]-9-ethylpyrido[3,4-b]indole-7-carboxamide (PubChem CID 121363768) has the molecular formula C21H18ClN3O and a molecular weight of 363.85 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-9-ethylpyrido[3,4-b]indole-7-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-9-ethylpyrido[3,4-b]indole-7-carboxamide
PubChem CID121363768
Molecular FormulaC21H18ClN3O
Molecular Weight363.85 g/mol
Exact Mass363.11
IUPAC NameN-[(3-chlorophenyl)methyl]-9-ethylpyrido[3,4-b]indole-7-carboxamide
SMILESCCn1c2cnccc2c2ccc(C(=O)NCc3cccc(Cl)c3)cc21
InChIInChI=1S/C21H18ClN3O/c1-2-25-19-11-15(6-7-17(19)18-8-9-23-13-20(18)25)21(26)24-12-14-4-3-5-16(22)10-14/h3-11,13H,2,12H2,1H3,(H,24,26)
InChIKeyZUOQOICMRPWBMS-UHFFFAOYSA-N
XLogP4.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide
CID 20940057
N-[(3-chlorophenyl)methyl]-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186622
N-[(2-aminoquinazolin-6-yl)methyl]-9-ethylcarbazole-2-carboxamide
CID 172623172
N-[(2,4-diaminoquinazolin-6-yl)methyl]-9-ethylcarbazole-2-carboxamide
CID 172623319
N-[(3-chlorophenyl)methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 51158730
9-[(3-chlorophenyl)methyl]pyrido[3,4-b]indole
CID 141321511
N-[(3-chlorophenyl)methyl]-3-hydroxy-4-methylbenzamide
CID 60699247
N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)benzamide
CID 51176578
N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide
CID 23653724
N-[(3-chlorophenyl)methyl]-2,3-dimethyl-1-[(3-methylphenyl)methyl]indole-5-carboxamide
CID 20888437
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
4-chloro-N-[(3-chlorophenyl)methyl]-1H-indazole-6-carboxamide
CID 59292119

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-9-ethylpyrido[3,4-b]indole-7-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-9-ethylpyrido[3,4-b]indole-7-carboxamide (CID 121363768) is N-[(3-chlorophenyl)methyl]-9-ethylpyrido[3,4-b]indole-7-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-9-ethylpyrido[3,4-b]indole-7-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-9-ethylpyrido[3,4-b]indole-7-carboxamide is CCn1c2cnccc2c2ccc(C(=O)NCc3cccc(Cl)c3)cc21.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-9-ethylpyrido[3,4-b]indole-7-carboxamide?
The InChIKey is ZUOQOICMRPWBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O/c1-2-25-19-11-15(6-7-17(19)18-8-9-23-13-20(18)25)21(26)24-12-14-4-3-5-16(22)10-14/h3-11,13H,2,12H2,1H3,(H,24,26).
What are the key properties of N-[(3-chlorophenyl)methyl]-9-ethylpyrido[3,4-b]indole-7-carboxamide?
N-[(3-chlorophenyl)methyl]-9-ethylpyrido[3,4-b]indole-7-carboxamide has a molecular weight of 363.85 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-9-ethylpyrido[3,4-b]indole-7-carboxamide is sourced from PubChem (CID 121363768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).