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

C12H15ClFN3O2 — CID 119293008

IUPAC2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;hydrochloride
SMILESCC(N)C(=O)Nc1cc2c(cc1F)CCC(=O)N2.Cl
InChIInChI=1S/C12H14FN3O2.ClH/c1-6(14)12(18)16-10-5-9-7(4-8(10)13)2-3-11(17)15-9;/h4-6H,2-3,14H2,1H3,(H,15,17)(H,16,18);1H
InChIKeyYBDAWJCBGGWNKZ-UHFFFAOYSA-N
MW287.72 g/mol
LogP1.42
Rot. Bonds2

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

2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;hydrochloride (PubChem CID 119293008) has the molecular formula C12H15ClFN3O2 and a molecular weight of 287.72 g/mol. Its IUPAC name is 2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;hydrochloride
PubChem CID119293008
Molecular FormulaC12H15ClFN3O2
Molecular Weight287.72 g/mol
Exact Mass287.08
IUPAC Name2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;hydrochloride
SMILESCC(N)C(=O)Nc1cc2c(cc1F)CCC(=O)N2.Cl
InChIInChI=1S/C12H14FN3O2.ClH/c1-6(14)12(18)16-10-5-9-7(4-8(10)13)2-3-11(17)15-9;/h4-6H,2-3,14H2,1H3,(H,15,17)(H,16,18);1H
InChIKeyYBDAWJCBGGWNKZ-UHFFFAOYSA-N
XLogP1.42
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.72
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(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-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)butanamide
CID 54924563
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)acetamide;hydrochloride
CID 119293005
1-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)cyclopropane-1-carboxamide;hydrochloride
CID 119730215
1-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119293017
N-(5-fluoro-2-oxo-1,3-dihydroindol-6-yl)-2-hydroxypropanamide
CID 66607967
2-(ethylamino)-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-methylpropanamide
CID 62833433
4-(aminomethyl)-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxane-4-carboxamide;hydrochloride
CID 120925239
3-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)cyclopentane-1-carboxamide
CID 66009357
(2S)-2-amino-N-(2,4,5-trifluorophenyl)propanamide
CID 62816267

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;hydrochloride?
The IUPAC name of 2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;hydrochloride (CID 119293008) is 2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;hydrochloride is CC(N)C(=O)Nc1cc2c(cc1F)CCC(=O)N2.Cl.
What is the InChIKey of 2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;hydrochloride?
The InChIKey is YBDAWJCBGGWNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2.ClH/c1-6(14)12(18)16-10-5-9-7(4-8(10)13)2-3-11(17)15-9;/h4-6H,2-3,14H2,1H3,(H,15,17)(H,16,18);1H.
What are the key properties of 2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;hydrochloride?
2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;hydrochloride has a molecular weight of 287.72 g/mol, XLogP of 1.42, 2 rotatable bonds, 3 hydrogen bond donors, and 3 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)propanamide;hydrochloride is sourced from PubChem (CID 119293008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).