N-[(3-fluorophenyl)methyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide

C18H15FN2O2 — CID 4883815

IUPACN-[(3-fluorophenyl)methyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide
SMILESCN(Cc1cccc(F)c1)C(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C18H15FN2O2/c1-21(11-12-5-4-6-13(19)9-12)18(23)15-10-17(22)20-16-8-3-2-7-14(15)16/h2-10H,11H2,1H3,(H,20,22)
InChIKeyONGXZDOMVDBKBP-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.94
Rot. Bonds3

About N-[(3-fluorophenyl)methyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide

N-[(3-fluorophenyl)methyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 4883815) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide
PubChem CID4883815
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC NameN-[(3-fluorophenyl)methyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide
SMILESCN(Cc1cccc(F)c1)C(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C18H15FN2O2/c1-21(11-12-5-4-6-13(19)9-12)18(23)15-10-17(22)20-16-8-3-2-7-14(15)16/h2-10H,11H2,1H3,(H,20,22)
InChIKeyONGXZDOMVDBKBP-UHFFFAOYSA-N
XLogP2.94
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-[4-(Dimethylamino)benzylidene]indolin-2-one
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N-[4-(4-Phenyl-piperazin-1-yl)-butyl]-benzamide
CID 14162480
4-{[4-(acetylamino)phenyl][1-(4-fluorobenzyl)piperidin 4 ylidene]methyl}-N,N-diethylbenzamide
CID 11283686

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide (CID 4883815) is N-[(3-fluorophenyl)methyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide is CN(Cc1cccc(F)c1)C(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is ONGXZDOMVDBKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-21(11-12-5-4-6-13(19)9-12)18(23)15-10-17(22)20-16-8-3-2-7-14(15)16/h2-10H,11H2,1H3,(H,20,22).
What are the key properties of N-[(3-fluorophenyl)methyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide?
N-[(3-fluorophenyl)methyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 310.33 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 4883815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).