N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-2-oxo-1H-quinoline-4-carboxamide

C21H19FN2O3 — CID 75404517

IUPACN-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(NC(c1ccc(F)cc1)C1CCCO1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C21H19FN2O3/c22-14-9-7-13(8-10-14)20(18-6-3-11-27-18)24-21(26)16-12-19(25)23-17-5-2-1-4-15(16)17/h1-2,4-5,7-10,12,18,20H,3,6,11H2,(H,23,25)(H,24,26)
InChIKeyCPYDMTILAPYSHB-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.32
Rot. Bonds4

About N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-2-oxo-1H-quinoline-4-carboxamide

N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 75404517) has the molecular formula C21H19FN2O3 and a molecular weight of 366.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID75404517
Molecular FormulaC21H19FN2O3
Molecular Weight366.39 g/mol
Exact Mass366.14
IUPAC NameN-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(NC(c1ccc(F)cc1)C1CCCO1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C21H19FN2O3/c22-14-9-7-13(8-10-14)20(18-6-3-11-27-18)24-21(26)16-12-19(25)23-17-5-2-1-4-15(16)17/h1-2,4-5,7-10,12,18,20H,3,6,11H2,(H,23,25)(H,24,26)
InChIKeyCPYDMTILAPYSHB-UHFFFAOYSA-N
XLogP3.32
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-2-oxo-1H-quinoline-4-carboxamide (CID 75404517) is N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-2-oxo-1H-quinoline-4-carboxamide is O=C(NC(c1ccc(F)cc1)C1CCCO1)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is CPYDMTILAPYSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3/c22-14-9-7-13(8-10-14)20(18-6-3-11-27-18)24-21(26)16-12-19(25)23-17-5-2-1-4-15(16)17/h1-2,4-5,7-10,12,18,20H,3,6,11H2,(H,23,25)(H,24,26).
What are the key properties of N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-2-oxo-1H-quinoline-4-carboxamide?
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 366.39 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 75404517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).