2-amino-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide

C13H15N3O2 — CID 177249673

IUPAC2-amino-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCc1ccc2cc(CC(N)C(N)=O)c(=O)[nH]c2c1
InChIInChI=1S/C13H15N3O2/c1-7-2-3-8-5-9(6-10(14)12(15)17)13(18)16-11(8)4-7/h2-5,10H,6,14H2,1H3,(H2,15,17)(H,16,18)
InChIKeyVLGWABXHJKWNOB-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.19
Rot. Bonds3

About 2-amino-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide

2-amino-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide (PubChem CID 177249673) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-amino-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound Name2-amino-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
PubChem CID177249673
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-amino-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCc1ccc2cc(CC(N)C(N)=O)c(=O)[nH]c2c1
InChIInChI=1S/C13H15N3O2/c1-7-2-3-8-5-9(6-10(14)12(15)17)13(18)16-11(8)4-7/h2-5,10H,6,14H2,1H3,(H2,15,17)(H,16,18)
InChIKeyVLGWABXHJKWNOB-UHFFFAOYSA-N
XLogP0.19
TPSA101.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(6-chloro-2-oxo-1H-quinolin-3-yl)propanamide
CID 170632452
(7-methyl-2-oxo-1H-quinolin-3-yl)methyl acetate
CID 947564
2,2-dimethyl-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid
CID 84637709
N-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 930563
7-methyl-3-(methylaminomethyl)-1H-quinolin-2-one
CID 664663
(2S)-2-cyano-N-(2,6-dimethylphenyl)-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 1140255
(2R)-2-cyano-N-(2,6-dimethylphenyl)-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 1140253
2-[formyl(methyl)amino]-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 170632061
N-(2,5-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 951195
3,7-dimethyl-1H-quinolin-2-one
CID 12693830
N-(2,3-dimethylphenyl)-2-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 1395107
7-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-quinolin-2-one
CID 53174869

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
The IUPAC name of 2-amino-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide (CID 177249673) is 2-amino-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for 2-amino-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
The canonical SMILES for 2-amino-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide is Cc1ccc2cc(CC(N)C(N)=O)c(=O)[nH]c2c1.
What is the InChIKey of 2-amino-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
The InChIKey is VLGWABXHJKWNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-7-2-3-8-5-9(6-10(14)12(15)17)13(18)16-11(8)4-7/h2-5,10H,6,14H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of 2-amino-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
2-amino-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide has a molecular weight of 245.28 g/mol, XLogP of 0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 177249673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).