1-[3-(2-oxo-1-pyridinyl)propanoyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid

C18H18N2O4 — CID 154746476

IUPAC1-[3-(2-oxo-1-pyridinyl)propanoyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CCn2ccccc2=O)c2ccccc21
InChIInChI=1S/C18H18N2O4/c21-16-7-3-4-10-19(16)11-9-17(22)20-12-8-14(18(23)24)13-5-1-2-6-15(13)20/h1-7,10,14H,8-9,11-12H2,(H,23,24)
InChIKeyPTONXILRHZJGKX-UHFFFAOYSA-N
MW326.35 g/mol
LogP1.84
Rot. Bonds4

About 1-[3-(2-oxo-1-pyridinyl)propanoyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid

1-[3-(2-oxo-1-pyridinyl)propanoyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid (PubChem CID 154746476) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 1-[3-(2-oxo-1-pyridinyl)propanoyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(2-oxo-1-pyridinyl)propanoyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid
PubChem CID154746476
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name1-[3-(2-oxo-1-pyridinyl)propanoyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CCn2ccccc2=O)c2ccccc21
InChIInChI=1S/C18H18N2O4/c21-16-7-3-4-10-19(16)11-9-17(22)20-12-8-14(18(23)24)13-5-1-2-6-15(13)20/h1-7,10,14H,8-9,11-12H2,(H,23,24)
InChIKeyPTONXILRHZJGKX-UHFFFAOYSA-N
XLogP1.84
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(2-oxo-1-pyridinyl)propanoyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-oxo-1-pyridinyl)propanoyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid?
The IUPAC name of 1-[3-(2-oxo-1-pyridinyl)propanoyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid (CID 154746476) is 1-[3-(2-oxo-1-pyridinyl)propanoyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid.
What is the SMILES notation for 1-[3-(2-oxo-1-pyridinyl)propanoyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid?
The canonical SMILES for 1-[3-(2-oxo-1-pyridinyl)propanoyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid is O=C(O)C1CCN(C(=O)CCn2ccccc2=O)c2ccccc21.
What is the InChIKey of 1-[3-(2-oxo-1-pyridinyl)propanoyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid?
The InChIKey is PTONXILRHZJGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c21-16-7-3-4-10-19(16)11-9-17(22)20-12-8-14(18(23)24)13-5-1-2-6-15(13)20/h1-7,10,14H,8-9,11-12H2,(H,23,24).
What are the key properties of 1-[3-(2-oxo-1-pyridinyl)propanoyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid?
1-[3-(2-oxo-1-pyridinyl)propanoyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid has a molecular weight of 326.35 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-oxo-1-pyridinyl)propanoyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid is sourced from PubChem (CID 154746476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).