N-cyclopentyl-1-(4-fluorophenyl)-4-oxocinnoline-3-carboxamide

C20H18FN3O2 — CID 53169768

IUPACN-cyclopentyl-1-(4-fluorophenyl)-4-oxocinnoline-3-carboxamide
SMILESO=C(NC1CCCC1)c1nn(-c2ccc(F)cc2)c2ccccc2c1=O
InChIInChI=1S/C20H18FN3O2/c21-13-9-11-15(12-10-13)24-17-8-4-3-7-16(17)19(25)18(23-24)20(26)22-14-5-1-2-6-14/h3-4,7-12,14H,1-2,5-6H2,(H,22,26)
InChIKeySZCQHYRQKFLWDP-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.20
Rot. Bonds3

About N-cyclopentyl-1-(4-fluorophenyl)-4-oxocinnoline-3-carboxamide

N-cyclopentyl-1-(4-fluorophenyl)-4-oxocinnoline-3-carboxamide (PubChem CID 53169768) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-cyclopentyl-1-(4-fluorophenyl)-4-oxocinnoline-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(4-fluorophenyl)-4-oxocinnoline-3-carboxamide
PubChem CID53169768
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC NameN-cyclopentyl-1-(4-fluorophenyl)-4-oxocinnoline-3-carboxamide
SMILESO=C(NC1CCCC1)c1nn(-c2ccc(F)cc2)c2ccccc2c1=O
InChIInChI=1S/C20H18FN3O2/c21-13-9-11-15(12-10-13)24-17-8-4-3-7-16(17)19(25)18(23-24)20(26)22-14-5-1-2-6-14/h3-4,7-12,14H,1-2,5-6H2,(H,22,26)
InChIKeySZCQHYRQKFLWDP-UHFFFAOYSA-N
XLogP3.20
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopentyl-1-(4-fluorophenyl)-4-oxocinnoline-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 N-cyclopentyl-1-(4-fluorophenyl)-4-oxocinnoline-3-carboxamide?
The IUPAC name of N-cyclopentyl-1-(4-fluorophenyl)-4-oxocinnoline-3-carboxamide (CID 53169768) is N-cyclopentyl-1-(4-fluorophenyl)-4-oxocinnoline-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-(4-fluorophenyl)-4-oxocinnoline-3-carboxamide?
The canonical SMILES for N-cyclopentyl-1-(4-fluorophenyl)-4-oxocinnoline-3-carboxamide is O=C(NC1CCCC1)c1nn(-c2ccc(F)cc2)c2ccccc2c1=O.
What is the InChIKey of N-cyclopentyl-1-(4-fluorophenyl)-4-oxocinnoline-3-carboxamide?
The InChIKey is SZCQHYRQKFLWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c21-13-9-11-15(12-10-13)24-17-8-4-3-7-16(17)19(25)18(23-24)20(26)22-14-5-1-2-6-14/h3-4,7-12,14H,1-2,5-6H2,(H,22,26).
What are the key properties of N-cyclopentyl-1-(4-fluorophenyl)-4-oxocinnoline-3-carboxamide?
N-cyclopentyl-1-(4-fluorophenyl)-4-oxocinnoline-3-carboxamide has a molecular weight of 351.38 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(4-fluorophenyl)-4-oxocinnoline-3-carboxamide is sourced from PubChem (CID 53169768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).