2-chloro-N-(quinolin-3-ylcarbamoyl)acetamide

C12H10ClN3O2 — CID 62806519

IUPAC2-chloro-N-(quinolin-3-ylcarbamoyl)acetamide
SMILESO=C(CCl)NC(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C12H10ClN3O2/c13-6-11(17)16-12(18)15-9-5-8-3-1-2-4-10(8)14-7-9/h1-5,7H,6H2,(H2,15,16,17,18)
InChIKeyJJXNBXOAKQXTFW-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.12
Rot. Bonds2

About 2-chloro-N-(quinolin-3-ylcarbamoyl)acetamide

2-chloro-N-(quinolin-3-ylcarbamoyl)acetamide (PubChem CID 62806519) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is 2-chloro-N-(quinolin-3-ylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(quinolin-3-ylcarbamoyl)acetamide
PubChem CID62806519
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name2-chloro-N-(quinolin-3-ylcarbamoyl)acetamide
SMILESO=C(CCl)NC(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C12H10ClN3O2/c13-6-11(17)16-12(18)15-9-5-8-3-1-2-4-10(8)14-7-9/h1-5,7H,6H2,(H2,15,16,17,18)
InChIKeyJJXNBXOAKQXTFW-UHFFFAOYSA-N
XLogP2.12
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.12
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

3-phenyl-N-(quinolin-3-ylcarbamoyl)propanamide
CID 69378485
1-(3,4-dichlorophenyl)-3-quinolin-3-ylurea
CID 2239305
1-(2-methoxyethyl)-3-quinolin-3-ylurea
CID 175700628
4-oxo-4-(quinolin-3-ylamino)butanoic acid
CID 861757
2-chloro-N-(phenylcarbamoyl)acetamide
CID 10976790
1-quinolin-3-yl-3-(3-trimethoxysilylpropyl)urea
CID 140892825
1-(3,5-dimethoxyphenyl)-3-quinolin-3-ylurea
CID 16645779
1-(naphthalen-1-ylmethyl)-3-quinolin-3-ylurea
CID 175700641
methyl N-quinolin-3-ylcarbamate
CID 19697860
2-chloro-N-quinolin-3-ylpropanamide
CID 43346759
(2R)-2-(quinolin-3-ylcarbamoylamino)propanoic acid
CID 78917504
2-[2-oxo-2-(quinolin-3-ylamino)ethoxy]acetic acid
CID 61329390

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(quinolin-3-ylcarbamoyl)acetamide?
The IUPAC name of 2-chloro-N-(quinolin-3-ylcarbamoyl)acetamide (CID 62806519) is 2-chloro-N-(quinolin-3-ylcarbamoyl)acetamide.
What is the SMILES notation for 2-chloro-N-(quinolin-3-ylcarbamoyl)acetamide?
The canonical SMILES for 2-chloro-N-(quinolin-3-ylcarbamoyl)acetamide is O=C(CCl)NC(=O)Nc1cnc2ccccc2c1.
What is the InChIKey of 2-chloro-N-(quinolin-3-ylcarbamoyl)acetamide?
The InChIKey is JJXNBXOAKQXTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c13-6-11(17)16-12(18)15-9-5-8-3-1-2-4-10(8)14-7-9/h1-5,7H,6H2,(H2,15,16,17,18).
What are the key properties of 2-chloro-N-(quinolin-3-ylcarbamoyl)acetamide?
2-chloro-N-(quinolin-3-ylcarbamoyl)acetamide has a molecular weight of 263.68 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(quinolin-3-ylcarbamoyl)acetamide is sourced from PubChem (CID 62806519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).