7-fluoro-2-oxo-N-(3-phenylmethoxypropyl)-3,4-dihydro-1H-quinoline-4-carboxamide

C20H21FN2O3 — CID 18137483

IUPAC7-fluoro-2-oxo-N-(3-phenylmethoxypropyl)-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)NCCCOCc2ccccc2)c2ccc(F)cc2N1
InChIInChI=1S/C20H21FN2O3/c21-15-7-8-16-17(12-19(24)23-18(16)11-15)20(25)22-9-4-10-26-13-14-5-2-1-3-6-14/h1-3,5-8,11,17H,4,9-10,12-13H2,(H,22,25)(H,23,24)
InChIKeyBJBGHXCWNHNQIZ-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.97
Rot. Bonds7

About 7-fluoro-2-oxo-N-(3-phenylmethoxypropyl)-3,4-dihydro-1H-quinoline-4-carboxamide

7-fluoro-2-oxo-N-(3-phenylmethoxypropyl)-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 18137483) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is 7-fluoro-2-oxo-N-(3-phenylmethoxypropyl)-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-2-oxo-N-(3-phenylmethoxypropyl)-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID18137483
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name7-fluoro-2-oxo-N-(3-phenylmethoxypropyl)-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)NCCCOCc2ccccc2)c2ccc(F)cc2N1
InChIInChI=1S/C20H21FN2O3/c21-15-7-8-16-17(12-19(24)23-18(16)11-15)20(25)22-9-4-10-26-13-14-5-2-1-3-6-14/h1-3,5-8,11,17H,4,9-10,12-13H2,(H,22,25)(H,23,24)
InChIKeyBJBGHXCWNHNQIZ-UHFFFAOYSA-N
XLogP2.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.97
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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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-oxo-N-(3-phenylmethoxypropyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-2-oxo-N-(3-phenylmethoxypropyl)-3,4-dihydro-1H-quinoline-4-carboxamide (CID 18137483) is 7-fluoro-2-oxo-N-(3-phenylmethoxypropyl)-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-2-oxo-N-(3-phenylmethoxypropyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-2-oxo-N-(3-phenylmethoxypropyl)-3,4-dihydro-1H-quinoline-4-carboxamide is O=C1CC(C(=O)NCCCOCc2ccccc2)c2ccc(F)cc2N1.
What is the InChIKey of 7-fluoro-2-oxo-N-(3-phenylmethoxypropyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is BJBGHXCWNHNQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c21-15-7-8-16-17(12-19(24)23-18(16)11-15)20(25)22-9-4-10-26-13-14-5-2-1-3-6-14/h1-3,5-8,11,17H,4,9-10,12-13H2,(H,22,25)(H,23,24).
What are the key properties of 7-fluoro-2-oxo-N-(3-phenylmethoxypropyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
7-fluoro-2-oxo-N-(3-phenylmethoxypropyl)-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-oxo-N-(3-phenylmethoxypropyl)-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 18137483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).