2-(4-fluorophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-7-carboxamide

C19H17FN2O3 — CID 16745874

IUPAC2-(4-fluorophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-7-carboxamide
SMILESCCCNC(=O)c1ccc2c(=O)c(O)c(-c3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C19H17FN2O3/c1-2-9-21-19(25)12-5-8-14-15(10-12)22-16(18(24)17(14)23)11-3-6-13(20)7-4-11/h3-8,10,24H,2,9H2,1H3,(H,21,25)(H,22,23)
InChIKeyCHCAULJEPZZZIF-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.18
Rot. Bonds4

About 2-(4-fluorophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-7-carboxamide

2-(4-fluorophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-7-carboxamide (PubChem CID 16745874) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-7-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-7-carboxamide
PubChem CID16745874
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name2-(4-fluorophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-7-carboxamide
SMILESCCCNC(=O)c1ccc2c(=O)c(O)c(-c3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C19H17FN2O3/c1-2-9-21-19(25)12-5-8-14-15(10-12)22-16(18(24)17(14)23)11-3-6-13(20)7-4-11/h3-8,10,24H,2,9H2,1H3,(H,21,25)(H,22,23)
InChIKeyCHCAULJEPZZZIF-UHFFFAOYSA-N
XLogP3.18
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-7-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-7-carboxamide (CID 16745874) is 2-(4-fluorophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-7-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-7-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-7-carboxamide is CCCNC(=O)c1ccc2c(=O)c(O)c(-c3ccc(F)cc3)[nH]c2c1.
What is the InChIKey of 2-(4-fluorophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-7-carboxamide?
The InChIKey is CHCAULJEPZZZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-2-9-21-19(25)12-5-8-14-15(10-12)22-16(18(24)17(14)23)11-3-6-13(20)7-4-11/h3-8,10,24H,2,9H2,1H3,(H,21,25)(H,22,23).
What are the key properties of 2-(4-fluorophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-7-carboxamide?
2-(4-fluorophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-7-carboxamide has a molecular weight of 340.35 g/mol, XLogP of 3.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-7-carboxamide is sourced from PubChem (CID 16745874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).