N-[1-(2-chlorophenyl)ethyl]-N-methylquinoline-8-carboxamide

C19H17ClN2O — CID 86882760

IUPACN-[1-(2-chlorophenyl)ethyl]-N-methylquinoline-8-carboxamide
SMILESCC(c1ccccc1Cl)N(C)C(=O)c1cccc2cccnc12
InChIInChI=1S/C19H17ClN2O/c1-13(15-9-3-4-11-17(15)20)22(2)19(23)16-10-5-7-14-8-6-12-21-18(14)16/h3-13H,1-2H3
InChIKeyDISQPJDWHQHMPJ-UHFFFAOYSA-N
MW324.81 g/mol
LogP4.72
Rot. Bonds3

About N-[1-(2-chlorophenyl)ethyl]-N-methylquinoline-8-carboxamide

N-[1-(2-chlorophenyl)ethyl]-N-methylquinoline-8-carboxamide (PubChem CID 86882760) has the molecular formula C19H17ClN2O and a molecular weight of 324.81 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-N-methylquinoline-8-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-N-methylquinoline-8-carboxamide
PubChem CID86882760
Molecular FormulaC19H17ClN2O
Molecular Weight324.81 g/mol
Exact Mass324.10
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-N-methylquinoline-8-carboxamide
SMILESCC(c1ccccc1Cl)N(C)C(=O)c1cccc2cccnc12
InChIInChI=1S/C19H17ClN2O/c1-13(15-9-3-4-11-17(15)20)22(2)19(23)16-10-5-7-14-8-6-12-21-18(14)16/h3-13H,1-2H3
InChIKeyDISQPJDWHQHMPJ-UHFFFAOYSA-N
XLogP4.72
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044537
N-[1-(2-chlorophenyl)ethyl]-3-hydrazinyl-N-methylpyridine-4-carboxamide
CID 105072124
3-amino-N-[1-(2-chlorophenyl)ethyl]-N,2-dimethylbenzamide
CID 61105024
N-(3-hydroxybutyl)-N-methylquinoline-8-carboxamide
CID 115673293
2-chloro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 75806999
N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N-methylquinoline-8-carboxamide
CID 96567455
N-(2-cyanopropyl)-N-methylquinoline-8-carboxamide
CID 47414728
N-(2-bromoethyl)-N-methylquinoline-8-carboxamide
CID 80659623
methyl 2-methyl-3-[methyl(quinoline-8-carbonyl)amino]propanoate
CID 47981172
1-[1-(2-chlorophenyl)ethyl]-1,3-dimethylurea
CID 47306890
6-amino-3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 62980332
2-methyl-2-[methyl(quinoline-8-carbonyl)amino]propanoic acid
CID 62819546

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-N-methylquinoline-8-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-N-methylquinoline-8-carboxamide (CID 86882760) is N-[1-(2-chlorophenyl)ethyl]-N-methylquinoline-8-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-N-methylquinoline-8-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-N-methylquinoline-8-carboxamide is CC(c1ccccc1Cl)N(C)C(=O)c1cccc2cccnc12.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-N-methylquinoline-8-carboxamide?
The InChIKey is DISQPJDWHQHMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O/c1-13(15-9-3-4-11-17(15)20)22(2)19(23)16-10-5-7-14-8-6-12-21-18(14)16/h3-13H,1-2H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-N-methylquinoline-8-carboxamide?
N-[1-(2-chlorophenyl)ethyl]-N-methylquinoline-8-carboxamide has a molecular weight of 324.81 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-N-methylquinoline-8-carboxamide is sourced from PubChem (CID 86882760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).