7-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide

C19H18FN3O — CID 86858306

IUPAC7-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)N(C)C(C)c2ccncc2)c2ccc(F)cc2n1
InChIInChI=1S/C19H18FN3O/c1-12-10-17(16-5-4-15(20)11-18(16)22-12)19(24)23(3)13(2)14-6-8-21-9-7-14/h4-11,13H,1-3H3
InChIKeyGVAUUZFEWZBANB-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.91
Rot. Bonds3

About 7-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide

7-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide (PubChem CID 86858306) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 7-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide
PubChem CID86858306
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name7-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)N(C)C(C)c2ccncc2)c2ccc(F)cc2n1
InChIInChI=1S/C19H18FN3O/c1-12-10-17(16-5-4-15(20)11-18(16)22-12)19(24)23(3)13(2)14-6-8-21-9-7-14/h4-11,13H,1-3H3
InChIKeyGVAUUZFEWZBANB-UHFFFAOYSA-N
XLogP3.91
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)quinoline-4-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 7-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide (CID 86858306) is 7-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide is Cc1cc(C(=O)N(C)C(C)c2ccncc2)c2ccc(F)cc2n1.
What is the InChIKey of 7-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide?
The InChIKey is GVAUUZFEWZBANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-12-10-17(16-5-4-15(20)11-18(16)22-12)19(24)23(3)13(2)14-6-8-21-9-7-14/h4-11,13H,1-3H3.
What are the key properties of 7-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide?
7-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 86858306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).