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

C13H16FN3O3 — CID 81083314

IUPAC2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1cc2c(cc1F)CCC(=O)N2
InChIInChI=1S/C13H16FN3O3/c1-20-6-9(15)13(19)17-11-5-10-7(4-8(11)14)2-3-12(18)16-10/h4-5,9H,2-3,6,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyPHAOJVBIRAEAIO-UHFFFAOYSA-N
MW281.29 g/mol
LogP0.62
Rot. Bonds4

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

2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methoxypropanamide (PubChem CID 81083314) has the molecular formula C13H16FN3O3 and a molecular weight of 281.29 g/mol. Its IUPAC name is 2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methoxypropanamide
PubChem CID81083314
Molecular FormulaC13H16FN3O3
Molecular Weight281.29 g/mol
Exact Mass281.12
IUPAC Name2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1cc2c(cc1F)CCC(=O)N2
InChIInChI=1S/C13H16FN3O3/c1-20-6-9(15)13(19)17-11-5-10-7(4-8(11)14)2-3-12(18)16-10/h4-5,9H,2-3,6,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyPHAOJVBIRAEAIO-UHFFFAOYSA-N
XLogP0.62
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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
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
6-fluoro-7-(1-methoxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 62535653
N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylbutanamide
CID 39283738
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
4-(aminomethyl)-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxane-4-carboxamide;hydrochloride
CID 120925239
N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 39282722
N-(5-fluoro-2-oxo-1,3-dihydroindol-6-yl)-2-hydroxypropanamide
CID 66607967
2-amino-N-(5-bromo-2-fluorophenyl)-3-methoxypropanamide
CID 81082239

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methoxypropanamide?
The IUPAC name of 2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methoxypropanamide (CID 81083314) is 2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methoxypropanamide is COCC(N)C(=O)Nc1cc2c(cc1F)CCC(=O)N2.
What is the InChIKey of 2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methoxypropanamide?
The InChIKey is PHAOJVBIRAEAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O3/c1-20-6-9(15)13(19)17-11-5-10-7(4-8(11)14)2-3-12(18)16-10/h4-5,9H,2-3,6,15H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methoxypropanamide?
2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methoxypropanamide has a molecular weight of 281.29 g/mol, XLogP of 0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methoxypropanamide is sourced from PubChem (CID 81083314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).