N-cyclopentyl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide

C17H19FN2O2 — CID 110407034

IUPACN-cyclopentyl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
SMILESO=C(CCc1cc2ccc(F)cc2[nH]c1=O)NC1CCCC1
InChIInChI=1S/C17H19FN2O2/c18-13-7-5-11-9-12(17(22)20-15(11)10-13)6-8-16(21)19-14-3-1-2-4-14/h5,7,9-10,14H,1-4,6,8H2,(H,19,21)(H,20,22)
InChIKeyDFYCOBFOCCTTKO-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.66
Rot. Bonds4

About N-cyclopentyl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide

N-cyclopentyl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide (PubChem CID 110407034) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is N-cyclopentyl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
PubChem CID110407034
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC NameN-cyclopentyl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
SMILESO=C(CCc1cc2ccc(F)cc2[nH]c1=O)NC1CCCC1
InChIInChI=1S/C17H19FN2O2/c18-13-7-5-11-9-12(17(22)20-15(11)10-13)6-8-16(21)19-14-3-1-2-4-14/h5,7,9-10,14H,1-4,6,8H2,(H,19,21)(H,20,22)
InChIKeyDFYCOBFOCCTTKO-UHFFFAOYSA-N
XLogP2.66
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-cyclopentyl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide (CID 110407034) is N-cyclopentyl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-cyclopentyl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-cyclopentyl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide is O=C(CCc1cc2ccc(F)cc2[nH]c1=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide?
The InChIKey is DFYCOBFOCCTTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c18-13-7-5-11-9-12(17(22)20-15(11)10-13)6-8-16(21)19-14-3-1-2-4-14/h5,7,9-10,14H,1-4,6,8H2,(H,19,21)(H,20,22).
What are the key properties of N-cyclopentyl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide?
N-cyclopentyl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide has a molecular weight of 302.35 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 110407034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).