2-[formyl(methyl)amino]-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide

C15H17N3O3 — CID 170632061

IUPAC2-[formyl(methyl)amino]-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCc1ccc2[nH]c(=O)c(CC(C(N)=O)N(C)C=O)cc2c1
InChIInChI=1S/C15H17N3O3/c1-9-3-4-12-10(5-9)6-11(15(21)17-12)7-13(14(16)20)18(2)8-19/h3-6,8,13H,7H2,1-2H3,(H2,16,20)(H,17,21)
InChIKeyAYCMZYSKJIPHOB-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.32
Rot. Bonds5

About 2-[formyl(methyl)amino]-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide

2-[formyl(methyl)amino]-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide (PubChem CID 170632061) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[formyl(methyl)amino]-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound Name2-[formyl(methyl)amino]-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
PubChem CID170632061
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[formyl(methyl)amino]-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCc1ccc2[nH]c(=O)c(CC(C(N)=O)N(C)C=O)cc2c1
InChIInChI=1S/C15H17N3O3/c1-9-3-4-12-10(5-9)6-11(15(21)17-12)7-13(14(16)20)18(2)8-19/h3-6,8,13H,7H2,1-2H3,(H2,16,20)(H,17,21)
InChIKeyAYCMZYSKJIPHOB-UHFFFAOYSA-N
XLogP0.32
TPSA96.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(aminomethyl)-6-methyl-1H-quinolin-2-one
CID 6487618
2-amino-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 177249673
N-ethyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 947723
6-methyl-3-[2-(methylamino)but-3-ynyl]-1H-quinolin-2-one
CID 170631820
2-amino-3-(6-chloro-2-oxo-1H-quinolin-3-yl)propanamide
CID 170632452
N-methyl-3-(6-methyl-2-oxo-1H-quinolin-3-yl)-N-phenylpropanamide
CID 110331251
6-methyl-3-(propylaminomethyl)-1H-quinolin-2-one
CID 97057433
N-(2,4-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 940174
N-(2-hydroxyethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 857219
N-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 858516
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)acetamide
CID 950393
N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 71684039

Frequently Asked Questions

What is the IUPAC name of 2-[formyl(methyl)amino]-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
The IUPAC name of 2-[formyl(methyl)amino]-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide (CID 170632061) is 2-[formyl(methyl)amino]-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for 2-[formyl(methyl)amino]-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
The canonical SMILES for 2-[formyl(methyl)amino]-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide is Cc1ccc2[nH]c(=O)c(CC(C(N)=O)N(C)C=O)cc2c1.
What is the InChIKey of 2-[formyl(methyl)amino]-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
The InChIKey is AYCMZYSKJIPHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9-3-4-12-10(5-9)6-11(15(21)17-12)7-13(14(16)20)18(2)8-19/h3-6,8,13H,7H2,1-2H3,(H2,16,20)(H,17,21).
What are the key properties of 2-[formyl(methyl)amino]-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
2-[formyl(methyl)amino]-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide has a molecular weight of 287.32 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[formyl(methyl)amino]-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 170632061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).