[1-[(2-methylquinolin-4-yl)amino]-1-oxopropan-2-yl] pyridine-3-carboxylate

C19H17N3O3 — CID 23744799

IUPAC[1-[(2-methylquinolin-4-yl)amino]-1-oxopropan-2-yl] pyridine-3-carboxylate
SMILESCc1cc(NC(=O)C(C)OC(=O)c2cccnc2)c2ccccc2n1
InChIInChI=1S/C19H17N3O3/c1-12-10-17(15-7-3-4-8-16(15)21-12)22-18(23)13(2)25-19(24)14-6-5-9-20-11-14/h3-11,13H,1-2H3,(H,21,22,23)
InChIKeyXELIQVHPBLNHTB-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.12
Rot. Bonds4

About [1-[(2-methylquinolin-4-yl)amino]-1-oxopropan-2-yl] pyridine-3-carboxylate

[1-[(2-methylquinolin-4-yl)amino]-1-oxopropan-2-yl] pyridine-3-carboxylate (PubChem CID 23744799) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is [1-[(2-methylquinolin-4-yl)amino]-1-oxopropan-2-yl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[1-[(2-methylquinolin-4-yl)amino]-1-oxopropan-2-yl] pyridine-3-carboxylate
PubChem CID23744799
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name[1-[(2-methylquinolin-4-yl)amino]-1-oxopropan-2-yl] pyridine-3-carboxylate
SMILESCc1cc(NC(=O)C(C)OC(=O)c2cccnc2)c2ccccc2n1
InChIInChI=1S/C19H17N3O3/c1-12-10-17(15-7-3-4-8-16(15)21-12)22-18(23)13(2)25-19(24)14-6-5-9-20-11-14/h3-11,13H,1-2H3,(H,21,22,23)
InChIKeyXELIQVHPBLNHTB-UHFFFAOYSA-N
XLogP3.12
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[(2-methylquinolin-4-yl)amino]-1-oxopropan-2-yl] pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-1-anilino-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 9413930
[1-(2,5-dimethylanilino)-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 23915988
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 2355110
[1-[(2-methylquinolin-4-yl)amino]-1-oxopropan-2-yl] 2-(1,3-benzoxazol-2-yl)benzoate
CID 23803038
[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 2386320
[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-methylquinoline-4-carboxylate
CID 7351467
[1-(3,4-dichloroanilino)-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 23773848
[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-methylquinoline-4-carboxylate
CID 7648331
[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] pyridine-3-carboxylate
CID 8647499
[1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methylquinoline-4-carboxylate
CID 6914942
N-(2-methylquinolin-4-yl)-2-(6-oxopyridazin-1-yl)propanamide
CID 121079728
(2S)-2-amino-4-methyl-N-(2-methylquinolin-4-yl)pentanamide
CID 61148862

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methylquinolin-4-yl)amino]-1-oxopropan-2-yl] pyridine-3-carboxylate?
The IUPAC name of [1-[(2-methylquinolin-4-yl)amino]-1-oxopropan-2-yl] pyridine-3-carboxylate (CID 23744799) is [1-[(2-methylquinolin-4-yl)amino]-1-oxopropan-2-yl] pyridine-3-carboxylate.
What is the SMILES notation for [1-[(2-methylquinolin-4-yl)amino]-1-oxopropan-2-yl] pyridine-3-carboxylate?
The canonical SMILES for [1-[(2-methylquinolin-4-yl)amino]-1-oxopropan-2-yl] pyridine-3-carboxylate is Cc1cc(NC(=O)C(C)OC(=O)c2cccnc2)c2ccccc2n1.
What is the InChIKey of [1-[(2-methylquinolin-4-yl)amino]-1-oxopropan-2-yl] pyridine-3-carboxylate?
The InChIKey is XELIQVHPBLNHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-12-10-17(15-7-3-4-8-16(15)21-12)22-18(23)13(2)25-19(24)14-6-5-9-20-11-14/h3-11,13H,1-2H3,(H,21,22,23).
What are the key properties of [1-[(2-methylquinolin-4-yl)amino]-1-oxopropan-2-yl] pyridine-3-carboxylate?
[1-[(2-methylquinolin-4-yl)amino]-1-oxopropan-2-yl] pyridine-3-carboxylate has a molecular weight of 335.36 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methylquinolin-4-yl)amino]-1-oxopropan-2-yl] pyridine-3-carboxylate is sourced from PubChem (CID 23744799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).