(4R)-7-fluoro-2-oxo-N-[(1-phenylcyclobutyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide

C21H21FN2O2 — CID 41412645

IUPAC(4R)-7-fluoro-2-oxo-N-[(1-phenylcyclobutyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1C[C@@H](C(=O)NCC2(c3ccccc3)CCC2)c2ccc(F)cc2N1
InChIInChI=1S/C21H21FN2O2/c22-15-7-8-16-17(12-19(25)24-18(16)11-15)20(26)23-13-21(9-4-10-21)14-5-2-1-3-6-14/h1-3,5-8,11,17H,4,9-10,12-13H2,(H,23,26)(H,24,25)/t17-/m1/s1
InChIKeyLFNKJXZGAYJGRS-QGZVFWFLSA-N
MW352.41 g/mol
LogP3.49
Rot. Bonds4

About (4R)-7-fluoro-2-oxo-N-[(1-phenylcyclobutyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide

(4R)-7-fluoro-2-oxo-N-[(1-phenylcyclobutyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 41412645) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is (4R)-7-fluoro-2-oxo-N-[(1-phenylcyclobutyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(4R)-7-fluoro-2-oxo-N-[(1-phenylcyclobutyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID41412645
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC Name(4R)-7-fluoro-2-oxo-N-[(1-phenylcyclobutyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1C[C@@H](C(=O)NCC2(c3ccccc3)CCC2)c2ccc(F)cc2N1
InChIInChI=1S/C21H21FN2O2/c22-15-7-8-16-17(12-19(25)24-18(16)11-15)20(26)23-13-21(9-4-10-21)14-5-2-1-3-6-14/h1-3,5-8,11,17H,4,9-10,12-13H2,(H,23,26)(H,24,25)/t17-/m1/s1
InChIKeyLFNKJXZGAYJGRS-QGZVFWFLSA-N
XLogP3.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4R)-7-fluoro-2-oxo-N-[(1-phenylcyclobutyl)methyl]-3,4-dihydro-1H-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 (4R)-7-fluoro-2-oxo-N-[(1-phenylcyclobutyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of (4R)-7-fluoro-2-oxo-N-[(1-phenylcyclobutyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide (CID 41412645) is (4R)-7-fluoro-2-oxo-N-[(1-phenylcyclobutyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for (4R)-7-fluoro-2-oxo-N-[(1-phenylcyclobutyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for (4R)-7-fluoro-2-oxo-N-[(1-phenylcyclobutyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide is O=C1C[C@@H](C(=O)NCC2(c3ccccc3)CCC2)c2ccc(F)cc2N1.
What is the InChIKey of (4R)-7-fluoro-2-oxo-N-[(1-phenylcyclobutyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is LFNKJXZGAYJGRS-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H21FN2O2/c22-15-7-8-16-17(12-19(25)24-18(16)11-15)20(26)23-13-21(9-4-10-21)14-5-2-1-3-6-14/h1-3,5-8,11,17H,4,9-10,12-13H2,(H,23,26)(H,24,25)/t17-/m1/s1.
What are the key properties of (4R)-7-fluoro-2-oxo-N-[(1-phenylcyclobutyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
(4R)-7-fluoro-2-oxo-N-[(1-phenylcyclobutyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 352.41 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-fluoro-2-oxo-N-[(1-phenylcyclobutyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 41412645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).