N-[(4-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C17H17FN2O2 — CID 18427614

IUPACN-[(4-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1c[nH]c2c(c1=O)CCCC2
InChIInChI=1S/C17H17FN2O2/c18-12-7-5-11(6-8-12)9-20-17(22)14-10-19-15-4-2-1-3-13(15)16(14)21/h5-8,10H,1-4,9H2,(H,19,21)(H,20,22)
InChIKeyWLFCXKUPIMOITH-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.32
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

N-[(4-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 18427614) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID18427614
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC NameN-[(4-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1c[nH]c2c(c1=O)CCCC2
InChIInChI=1S/C17H17FN2O2/c18-12-7-5-11(6-8-12)9-20-17(22)14-10-19-15-4-2-1-3-13(15)16(14)21/h5-8,10H,1-4,9H2,(H,19,21)(H,20,22)
InChIKeyWLFCXKUPIMOITH-UHFFFAOYSA-N
XLogP2.32
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.32
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]-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 18427614) is N-[(4-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is O=C(NCc1ccc(F)cc1)c1c[nH]c2c(c1=O)CCCC2.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is WLFCXKUPIMOITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c18-12-7-5-11(6-8-12)9-20-17(22)14-10-19-15-4-2-1-3-13(15)16(14)21/h5-8,10H,1-4,9H2,(H,19,21)(H,20,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
N-[(4-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 300.33 g/mol, XLogP of 2.32, 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]-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 18427614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).