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

C13H16FN3O2 — CID 54924563

IUPAC3-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)butanamide
SMILESCC(N)CC(=O)Nc1cc2c(cc1F)CCC(=O)N2
InChIInChI=1S/C13H16FN3O2/c1-7(15)4-13(19)17-11-6-10-8(5-9(11)14)2-3-12(18)16-10/h5-7H,2-4,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyUHHXHOXZLIKGGA-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.39
Rot. Bonds3

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

3-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)butanamide (PubChem CID 54924563) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 3-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)butanamide.

Molecular Properties

Compound Name3-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)butanamide
PubChem CID54924563
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name3-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)butanamide
SMILESCC(N)CC(=O)Nc1cc2c(cc1F)CCC(=O)N2
InChIInChI=1S/C13H16FN3O2/c1-7(15)4-13(19)17-11-6-10-8(5-9(11)14)2-3-12(18)16-10/h5-7H,2-4,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyUHHXHOXZLIKGGA-UHFFFAOYSA-N
XLogP1.39
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylbutanamide
CID 39283738
2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;hydrochloride
CID 119293008
2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide;hydrochloride
CID 119293005
(2S)-2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylpentanamide
CID 61172664
2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methoxypropanamide
CID 81083314
3-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
CID 60837196
1-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)cyclopropane-1-carboxamide;hydrochloride
CID 119730215
N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 39282722
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)cyclohexane-1-carboxamide;hydrochloride
CID 119293017
6-fluoro-7-(heptan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43723883
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide
CID 39281943

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)butanamide?
The IUPAC name of 3-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)butanamide (CID 54924563) is 3-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)butanamide.
What is the SMILES notation for 3-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)butanamide?
The canonical SMILES for 3-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)butanamide is CC(N)CC(=O)Nc1cc2c(cc1F)CCC(=O)N2.
What is the InChIKey of 3-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)butanamide?
The InChIKey is UHHXHOXZLIKGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-7(15)4-13(19)17-11-6-10-8(5-9(11)14)2-3-12(18)16-10/h5-7H,2-4,15H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 3-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)butanamide?
3-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)butanamide has a molecular weight of 265.29 g/mol, XLogP of 1.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)butanamide is sourced from PubChem (CID 54924563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).