2-amino-3-(6-chloro-2-oxo-1H-quinolin-3-yl)propanamide

C12H12ClN3O2 — CID 170632452

IUPAC2-amino-3-(6-chloro-2-oxo-1H-quinolin-3-yl)propanamide
SMILESNC(=O)C(N)Cc1cc2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C12H12ClN3O2/c13-8-1-2-10-6(4-8)3-7(12(18)16-10)5-9(14)11(15)17/h1-4,9H,5,14H2,(H2,15,17)(H,16,18)
InChIKeyFZPQHKRLSHFTMS-UHFFFAOYSA-N
MW265.70 g/mol
LogP0.54
Rot. Bonds3

About 2-amino-3-(6-chloro-2-oxo-1H-quinolin-3-yl)propanamide

2-amino-3-(6-chloro-2-oxo-1H-quinolin-3-yl)propanamide (PubChem CID 170632452) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 2-amino-3-(6-chloro-2-oxo-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound Name2-amino-3-(6-chloro-2-oxo-1H-quinolin-3-yl)propanamide
PubChem CID170632452
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name2-amino-3-(6-chloro-2-oxo-1H-quinolin-3-yl)propanamide
SMILESNC(=O)C(N)Cc1cc2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C12H12ClN3O2/c13-8-1-2-10-6(4-8)3-7(12(18)16-10)5-9(14)11(15)17/h1-4,9H,5,14H2,(H2,15,17)(H,16,18)
InChIKeyFZPQHKRLSHFTMS-UHFFFAOYSA-N
XLogP0.54
TPSA101.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(6-chloro-2-oxo-1H-quinolin-3-yl)propanamide?
The IUPAC name of 2-amino-3-(6-chloro-2-oxo-1H-quinolin-3-yl)propanamide (CID 170632452) is 2-amino-3-(6-chloro-2-oxo-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for 2-amino-3-(6-chloro-2-oxo-1H-quinolin-3-yl)propanamide?
The canonical SMILES for 2-amino-3-(6-chloro-2-oxo-1H-quinolin-3-yl)propanamide is NC(=O)C(N)Cc1cc2cc(Cl)ccc2[nH]c1=O.
What is the InChIKey of 2-amino-3-(6-chloro-2-oxo-1H-quinolin-3-yl)propanamide?
The InChIKey is FZPQHKRLSHFTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c13-8-1-2-10-6(4-8)3-7(12(18)16-10)5-9(14)11(15)17/h1-4,9H,5,14H2,(H2,15,17)(H,16,18).
What are the key properties of 2-amino-3-(6-chloro-2-oxo-1H-quinolin-3-yl)propanamide?
2-amino-3-(6-chloro-2-oxo-1H-quinolin-3-yl)propanamide has a molecular weight of 265.70 g/mol, XLogP of 0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(6-chloro-2-oxo-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 170632452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).