1-ethyl-6-fluoro-N-(3-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide

C18H16FN3O2 — CID 39851051

IUPAC1-ethyl-6-fluoro-N-(3-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2ncccc2C)c(=O)c2cc(F)ccc21
InChIInChI=1S/C18H16FN3O2/c1-3-22-10-14(16(23)13-9-12(19)6-7-15(13)22)18(24)21-17-11(2)5-4-8-20-17/h4-10H,3H2,1-2H3,(H,20,21,24)
InChIKeyLKSXMGKFDGWNJR-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.12
Rot. Bonds3

About 1-ethyl-6-fluoro-N-(3-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide

1-ethyl-6-fluoro-N-(3-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide (PubChem CID 39851051) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 1-ethyl-6-fluoro-N-(3-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-6-fluoro-N-(3-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide
PubChem CID39851051
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name1-ethyl-6-fluoro-N-(3-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2ncccc2C)c(=O)c2cc(F)ccc21
InChIInChI=1S/C18H16FN3O2/c1-3-22-10-14(16(23)13-9-12(19)6-7-15(13)22)18(24)21-17-11(2)5-4-8-20-17/h4-10H,3H2,1-2H3,(H,20,21,24)
InChIKeyLKSXMGKFDGWNJR-UHFFFAOYSA-N
XLogP3.12
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-6-fluoro-N-(3-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide 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-ethyl-6-fluoro-N-(3-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide?
The IUPAC name of 1-ethyl-6-fluoro-N-(3-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide (CID 39851051) is 1-ethyl-6-fluoro-N-(3-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-ethyl-6-fluoro-N-(3-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-ethyl-6-fluoro-N-(3-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide is CCn1cc(C(=O)Nc2ncccc2C)c(=O)c2cc(F)ccc21.
What is the InChIKey of 1-ethyl-6-fluoro-N-(3-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide?
The InChIKey is LKSXMGKFDGWNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-3-22-10-14(16(23)13-9-12(19)6-7-15(13)22)18(24)21-17-11(2)5-4-8-20-17/h4-10H,3H2,1-2H3,(H,20,21,24).
What are the key properties of 1-ethyl-6-fluoro-N-(3-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide?
1-ethyl-6-fluoro-N-(3-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide has a molecular weight of 325.34 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-fluoro-N-(3-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 39851051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).