N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide

C20H19N3O2 — CID 38202874

IUPACN-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NCCNC(=O)c2ccccc2)c2ccccc2n1
InChIInChI=1S/C20H19N3O2/c1-14-13-17(16-9-5-6-10-18(16)23-14)20(25)22-12-11-21-19(24)15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyYHHKXBMNXNJFMH-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.70
Rot. Bonds5

About N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide

N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide (PubChem CID 38202874) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide
PubChem CID38202874
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NCCNC(=O)c2ccccc2)c2ccccc2n1
InChIInChI=1S/C20H19N3O2/c1-14-13-17(16-9-5-6-10-18(16)23-14)20(25)22-12-11-21-19(24)15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyYHHKXBMNXNJFMH-UHFFFAOYSA-N
XLogP2.70
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclopropylamino)ethyl]-2-methylquinoline-4-carboxamide
CID 62664736
N-(5-iodopentyl)-2-methylquinoline-4-carboxamide
CID 107322663
(2S)-2-hydroxy-4-[(2-methylquinoline-4-carbonyl)amino]butanoic acid
CID 107834591
N-(cyanomethyl)-2-methylquinoline-4-carboxamide
CID 51890088
N-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide
CID 46291441
2-methyl-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide
CID 2105530
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylquinoline-4-carboxamide
CID 2564973
N-[(4-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 7959679
methyl N-[[4-[[(2-methylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate
CID 18729746
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-methylquinoline-4-carboxamide
CID 4786592
2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4-carboxamide
CID 166181784
2-methyl-N-(1-phenylethylideneamino)quinoline-4-carboxamide
CID 771316

Frequently Asked Questions

What is the IUPAC name of N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide?
The IUPAC name of N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide (CID 38202874) is N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)NCCNC(=O)c2ccccc2)c2ccccc2n1.
What is the InChIKey of N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide?
The InChIKey is YHHKXBMNXNJFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-14-13-17(16-9-5-6-10-18(16)23-14)20(25)22-12-11-21-19(24)15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide?
N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 38202874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).