N-[3-(4-fluorophenoxy)propyl]-4-oxo-1H-quinoline-2-carboxamide

C19H17FN2O3 — CID 51098622

IUPACN-[3-(4-fluorophenoxy)propyl]-4-oxo-1H-quinoline-2-carboxamide
SMILESO=C(NCCCOc1ccc(F)cc1)c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C19H17FN2O3/c20-13-6-8-14(9-7-13)25-11-3-10-21-19(24)17-12-18(23)15-4-1-2-5-16(15)22-17/h1-2,4-9,12H,3,10-11H2,(H,21,24)(H,22,23)
InChIKeyKZVXZGAUVZBRLT-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.87
Rot. Bonds6

About N-[3-(4-fluorophenoxy)propyl]-4-oxo-1H-quinoline-2-carboxamide

N-[3-(4-fluorophenoxy)propyl]-4-oxo-1H-quinoline-2-carboxamide (PubChem CID 51098622) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is N-[3-(4-fluorophenoxy)propyl]-4-oxo-1H-quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenoxy)propyl]-4-oxo-1H-quinoline-2-carboxamide
PubChem CID51098622
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC NameN-[3-(4-fluorophenoxy)propyl]-4-oxo-1H-quinoline-2-carboxamide
SMILESO=C(NCCCOc1ccc(F)cc1)c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C19H17FN2O3/c20-13-6-8-14(9-7-13)25-11-3-10-21-19(24)17-12-18(23)15-4-1-2-5-16(15)22-17/h1-2,4-9,12H,3,10-11H2,(H,21,24)(H,22,23)
InChIKeyKZVXZGAUVZBRLT-UHFFFAOYSA-N
XLogP2.87
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(4-oxo-1H-quinoline-2-carbonyl)amino]ethoxy]acetic acid
CID 79469166
N-ethyl-4-oxo-1H-quinoline-2-carboxamide
CID 47115379
N-[3-(4-fluorophenoxy)propyl]-4-(4-methoxyphenyl)-2-oxo-1H-pyrimidine-6-carboxamide
CID 110307304
N-[4-(4-fluorophenoxy)butyl]-2-(1H-indol-3-yl)acetamide
CID 17405014
N-[3-(4-fluorophenyl)sulfanylpropyl]-1H-indole-2-carboxamide
CID 27802085
N-[2-(4-methoxyphenoxy)ethyl]-2-oxo-1H-quinazoline-4-carboxamide
CID 110702552
N-[4-(4-fluorophenoxy)butyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide
CID 42572495
(Z)-but-2-enedioic acid;N-(3-morpholin-4-ylpropyl)-4-oxo-1H-quinoline-2-carboxamide
CID 51057245
4-oxo-N-[(2,4,6-trimethylphenyl)methyl]-1H-quinoline-2-carboxamide
CID 51091615
3-bromo-N-[2-(3-fluorophenoxy)ethyl]-1H-indole-2-carboxamide
CID 55818324
N-[3-(4-fluorophenoxy)propyl]pyridine-4-carboxamide
CID 47473376
4-(4-fluorophenyl)-N-pentyl-1H-indole-2-carboxamide
CID 151038439

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenoxy)propyl]-4-oxo-1H-quinoline-2-carboxamide?
The IUPAC name of N-[3-(4-fluorophenoxy)propyl]-4-oxo-1H-quinoline-2-carboxamide (CID 51098622) is N-[3-(4-fluorophenoxy)propyl]-4-oxo-1H-quinoline-2-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenoxy)propyl]-4-oxo-1H-quinoline-2-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenoxy)propyl]-4-oxo-1H-quinoline-2-carboxamide is O=C(NCCCOc1ccc(F)cc1)c1cc(=O)c2ccccc2[nH]1.
What is the InChIKey of N-[3-(4-fluorophenoxy)propyl]-4-oxo-1H-quinoline-2-carboxamide?
The InChIKey is KZVXZGAUVZBRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c20-13-6-8-14(9-7-13)25-11-3-10-21-19(24)17-12-18(23)15-4-1-2-5-16(15)22-17/h1-2,4-9,12H,3,10-11H2,(H,21,24)(H,22,23).
What are the key properties of N-[3-(4-fluorophenoxy)propyl]-4-oxo-1H-quinoline-2-carboxamide?
N-[3-(4-fluorophenoxy)propyl]-4-oxo-1H-quinoline-2-carboxamide has a molecular weight of 340.35 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenoxy)propyl]-4-oxo-1H-quinoline-2-carboxamide is sourced from PubChem (CID 51098622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).