N-(cyclopropylmethyl)-6-fluoro-2-oxo-1H-quinoline-3-carboxamide

C14H13FN2O2 — CID 155963960

IUPACN-(cyclopropylmethyl)-6-fluoro-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NCC1CC1)c1cc2cc(F)ccc2[nH]c1=O
InChIInChI=1S/C14H13FN2O2/c15-10-3-4-12-9(5-10)6-11(14(19)17-12)13(18)16-7-8-1-2-8/h3-6,8H,1-2,7H2,(H,16,18)(H,17,19)
InChIKeyODUYWGFJAUAXAS-UHFFFAOYSA-N
MW260.27 g/mol
LogP1.81
Rot. Bonds3

About N-(cyclopropylmethyl)-6-fluoro-2-oxo-1H-quinoline-3-carboxamide

N-(cyclopropylmethyl)-6-fluoro-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 155963960) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-fluoro-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-fluoro-2-oxo-1H-quinoline-3-carboxamide
PubChem CID155963960
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC NameN-(cyclopropylmethyl)-6-fluoro-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NCC1CC1)c1cc2cc(F)ccc2[nH]c1=O
InChIInChI=1S/C14H13FN2O2/c15-10-3-4-12-9(5-10)6-11(14(19)17-12)13(18)16-7-8-1-2-8/h3-6,8H,1-2,7H2,(H,16,18)(H,17,19)
InChIKeyODUYWGFJAUAXAS-UHFFFAOYSA-N
XLogP1.81
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopentylmethyl)-7-fluoro-2-oxo-1H-quinoline-3-carboxamide
CID 110627525
6-fluoro-3-(6-fluoro-2-oxo-1H-quinoline-3-carbonyl)-1H-quinolin-2-one
CID 67008016
N-(cyclopropylmethyl)-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 125491129
7-fluoro-N-[2-(4-fluorophenyl)-2-oxoethyl]-2-oxo-1H-quinoline-3-carboxamide
CID 110607516
2-bromo-4-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106123468
N-(cyclopropylmethyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 66497565
5-fluoro-N-[[4-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-1H-indole-2-carboxamide
CID 98065456
5-fluoro-N-[[4-[5-(5-methylpyrazin-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]-1H-indole-2-carboxamide
CID 98065399
2-amino-N-(cyclohexylmethyl)-5-fluorobenzamide
CID 43371580
N-[(4-bromocyclohexyl)methyl]-4-fluoro-2-nitrobenzamide
CID 106134710
N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide
CID 110605998
N-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-3-carboxamide
CID 16613142

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-fluoro-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-6-fluoro-2-oxo-1H-quinoline-3-carboxamide (CID 155963960) is N-(cyclopropylmethyl)-6-fluoro-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-6-fluoro-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-6-fluoro-2-oxo-1H-quinoline-3-carboxamide is O=C(NCC1CC1)c1cc2cc(F)ccc2[nH]c1=O.
What is the InChIKey of N-(cyclopropylmethyl)-6-fluoro-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is ODUYWGFJAUAXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c15-10-3-4-12-9(5-10)6-11(14(19)17-12)13(18)16-7-8-1-2-8/h3-6,8H,1-2,7H2,(H,16,18)(H,17,19).
What are the key properties of N-(cyclopropylmethyl)-6-fluoro-2-oxo-1H-quinoline-3-carboxamide?
N-(cyclopropylmethyl)-6-fluoro-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 260.27 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-fluoro-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 155963960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).