N-[(4-fluorophenyl)methyl]-8-methyl-4-oxo-1H-quinoline-3-carboxamide

C18H15FN2O2 — CID 1454915

IUPACN-[(4-fluorophenyl)methyl]-8-methyl-4-oxo-1H-quinoline-3-carboxamide
SMILESCc1cccc2c(=O)c(C(=O)NCc3ccc(F)cc3)c[nH]c12
InChIInChI=1S/C18H15FN2O2/c1-11-3-2-4-14-16(11)20-10-15(17(14)22)18(23)21-9-12-5-7-13(19)8-6-12/h2-8,10H,9H2,1H3,(H,20,22)(H,21,23)
InChIKeyZGIDBASOOXRERH-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.91
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-8-methyl-4-oxo-1H-quinoline-3-carboxamide

N-[(4-fluorophenyl)methyl]-8-methyl-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 1454915) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-8-methyl-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-8-methyl-4-oxo-1H-quinoline-3-carboxamide
PubChem CID1454915
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC NameN-[(4-fluorophenyl)methyl]-8-methyl-4-oxo-1H-quinoline-3-carboxamide
SMILESCc1cccc2c(=O)c(C(=O)NCc3ccc(F)cc3)c[nH]c12
InChIInChI=1S/C18H15FN2O2/c1-11-3-2-4-14-16(11)20-10-15(17(14)22)18(23)21-9-12-5-7-13(19)8-6-12/h2-8,10H,9H2,1H3,(H,20,22)(H,21,23)
InChIKeyZGIDBASOOXRERH-UHFFFAOYSA-N
XLogP2.91
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-8-methyl-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-8-methyl-4-oxo-1H-quinoline-3-carboxamide (CID 1454915) is N-[(4-fluorophenyl)methyl]-8-methyl-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-8-methyl-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-8-methyl-4-oxo-1H-quinoline-3-carboxamide is Cc1cccc2c(=O)c(C(=O)NCc3ccc(F)cc3)c[nH]c12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-8-methyl-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is ZGIDBASOOXRERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-11-3-2-4-14-16(11)20-10-15(17(14)22)18(23)21-9-12-5-7-13(19)8-6-12/h2-8,10H,9H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-8-methyl-4-oxo-1H-quinoline-3-carboxamide?
N-[(4-fluorophenyl)methyl]-8-methyl-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 310.33 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-8-methyl-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 1454915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).