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

C15H20FN3O2 — CID 61172664

IUPAC(2S)-2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1cc2c(cc1F)CCC(=O)N2
InChIInChI=1S/C15H20FN3O2/c1-3-8(2)14(17)15(21)19-12-7-11-9(6-10(12)16)4-5-13(20)18-11/h6-8,14H,3-5,17H2,1-2H3,(H,18,20)(H,19,21)/t8?,14-/m0/s1
InChIKeyDGPSYHLQEYOGNR-OMXDBJJSSA-N
MW293.34 g/mol
LogP2.02
Rot. Bonds4

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

(2S)-2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylpentanamide (PubChem CID 61172664) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is (2S)-2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylpentanamide
PubChem CID61172664
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name(2S)-2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1cc2c(cc1F)CCC(=O)N2
InChIInChI=1S/C15H20FN3O2/c1-3-8(2)14(17)15(21)19-12-7-11-9(6-10(12)16)4-5-13(20)18-11/h6-8,14H,3-5,17H2,1-2H3,(H,18,20)(H,19,21)/t8?,14-/m0/s1
InChIKeyDGPSYHLQEYOGNR-OMXDBJJSSA-N
XLogP2.02
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylpentanamide with MolForge

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Related Compounds

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)-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
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
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
2-amino-N-(2,5-difluoro-4-methoxyphenyl)-3-methylpentanamide;hydrochloride
CID 119812881
6-fluoro-7-(heptan-4-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43723940
(2S,3S)-2-amino-N-(4-chloro-2-fluorophenyl)-3-methylpentanamide
CID 61180794

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylpentanamide (CID 61172664) is (2S)-2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylpentanamide is CCC(C)[C@H](N)C(=O)Nc1cc2c(cc1F)CCC(=O)N2.
What is the InChIKey of (2S)-2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylpentanamide?
The InChIKey is DGPSYHLQEYOGNR-OMXDBJJSSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-3-8(2)14(17)15(21)19-12-7-11-9(6-10(12)16)4-5-13(20)18-11/h6-8,14H,3-5,17H2,1-2H3,(H,18,20)(H,19,21)/t8?,14-/m0/s1.
What are the key properties of (2S)-2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylpentanamide?
(2S)-2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylpentanamide has a molecular weight of 293.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylpentanamide is sourced from PubChem (CID 61172664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).