2-chloro-N-[(2-methylquinolin-4-yl)carbamoyl]acetamide

C13H12ClN3O2 — CID 43146054

IUPAC2-chloro-N-[(2-methylquinolin-4-yl)carbamoyl]acetamide
SMILESCc1cc(NC(=O)NC(=O)CCl)c2ccccc2n1
InChIInChI=1S/C13H12ClN3O2/c1-8-6-11(16-13(19)17-12(18)7-14)9-4-2-3-5-10(9)15-8/h2-6H,7H2,1H3,(H2,15,16,17,18,19)
InChIKeyGRRYUYFICVQYNF-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.43
Rot. Bonds2

About 2-chloro-N-[(2-methylquinolin-4-yl)carbamoyl]acetamide

2-chloro-N-[(2-methylquinolin-4-yl)carbamoyl]acetamide (PubChem CID 43146054) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 2-chloro-N-[(2-methylquinolin-4-yl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(2-methylquinolin-4-yl)carbamoyl]acetamide
PubChem CID43146054
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name2-chloro-N-[(2-methylquinolin-4-yl)carbamoyl]acetamide
SMILESCc1cc(NC(=O)NC(=O)CCl)c2ccccc2n1
InChIInChI=1S/C13H12ClN3O2/c1-8-6-11(16-13(19)17-12(18)7-14)9-4-2-3-5-10(9)15-8/h2-6H,7H2,1H3,(H2,15,16,17,18,19)
InChIKeyGRRYUYFICVQYNF-UHFFFAOYSA-N
XLogP2.43
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylquinolin-4-yl)-3-phenylurea
CID 5110969
1-butyl-3-(2-methylquinolin-4-yl)urea
CID 115571496
3-(ethylamino)-N-(2-methylquinolin-4-yl)propanamide
CID 62833896
2-chloro-N-(naphthalen-1-ylcarbamoyl)acetamide
CID 12609099
1-(benzenesulfonyl)-3-(2-methylquinolin-4-yl)urea
CID 21177304
2-[(2-methylquinolin-4-yl)carbamoylamino]benzamide
CID 53319759
1-(3-hydroxyphenyl)-3-(2-methylquinolin-4-yl)urea
CID 22745166
N-(4-chlorobutyl)-2-methylquinolin-4-amine
CID 106845127
2-methyl-N-(2-methylquinolin-4-yl)benzamide
CID 3291896
(2S)-2-amino-4-methyl-N-(2-methylquinolin-4-yl)pentanamide
CID 61148862
4-amino-5-[(2-methylquinolin-4-yl)amino]-5-oxopentanoic acid
CID 64894250
4-[(2-methylquinolin-4-yl)amino]butanoic acid
CID 43419953

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-methylquinolin-4-yl)carbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[(2-methylquinolin-4-yl)carbamoyl]acetamide (CID 43146054) is 2-chloro-N-[(2-methylquinolin-4-yl)carbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(2-methylquinolin-4-yl)carbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[(2-methylquinolin-4-yl)carbamoyl]acetamide is Cc1cc(NC(=O)NC(=O)CCl)c2ccccc2n1.
What is the InChIKey of 2-chloro-N-[(2-methylquinolin-4-yl)carbamoyl]acetamide?
The InChIKey is GRRYUYFICVQYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-8-6-11(16-13(19)17-12(18)7-14)9-4-2-3-5-10(9)15-8/h2-6H,7H2,1H3,(H2,15,16,17,18,19).
What are the key properties of 2-chloro-N-[(2-methylquinolin-4-yl)carbamoyl]acetamide?
2-chloro-N-[(2-methylquinolin-4-yl)carbamoyl]acetamide has a molecular weight of 277.71 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-methylquinolin-4-yl)carbamoyl]acetamide is sourced from PubChem (CID 43146054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).