N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylbutanamide

C14H17FN2O2 — CID 39283738

IUPACN-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cc2c(cc1F)CCC(=O)N2
InChIInChI=1S/C14H17FN2O2/c1-8(2)5-14(19)17-12-7-11-9(6-10(12)15)3-4-13(18)16-11/h6-8H,3-5H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyXEWDMJWJLXYAJX-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.69
Rot. Bonds3

About N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylbutanamide

N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylbutanamide (PubChem CID 39283738) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylbutanamide
PubChem CID39283738
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC NameN-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cc2c(cc1F)CCC(=O)N2
InChIInChI=1S/C14H17FN2O2/c1-8(2)5-14(19)17-12-7-11-9(6-10(12)15)3-4-13(18)16-11/h6-8H,3-5H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyXEWDMJWJLXYAJX-UHFFFAOYSA-N
XLogP2.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)butanamide
CID 54924563
2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide;hydrochloride
CID 119293005
2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;hydrochloride
CID 119293008
(2S)-2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylpentanamide
CID 61172664
7-fluoro-6-(3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 43457554
2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methoxypropanamide
CID 81083314
N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 39282722
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide
CID 39281943
2-(ethylamino)-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-methylpropanamide
CID 62833433
1-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)cyclopropane-1-carboxamide;hydrochloride
CID 119730215
6-fluoro-7-(heptan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43723883
6-fluoro-7-(1-methoxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 62535653

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylbutanamide?
The IUPAC name of N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylbutanamide (CID 39283738) is N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylbutanamide.
What is the SMILES notation for N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylbutanamide?
The canonical SMILES for N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylbutanamide is CC(C)CC(=O)Nc1cc2c(cc1F)CCC(=O)N2.
What is the InChIKey of N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylbutanamide?
The InChIKey is XEWDMJWJLXYAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-8(2)5-14(19)17-12-7-11-9(6-10(12)15)3-4-13(18)16-11/h6-8H,3-5H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylbutanamide?
N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylbutanamide has a molecular weight of 264.30 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylbutanamide is sourced from PubChem (CID 39283738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).