2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-N-methylacetamide

C12H16N4O2 — CID 43383610

IUPAC2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-N-methylacetamide
SMILESCNC(=O)CNc1cc2c(cc1N)CCC(=O)N2
InChIInChI=1S/C12H16N4O2/c1-14-12(18)6-15-10-5-9-7(4-8(10)13)2-3-11(17)16-9/h4-5,15H,2-3,6,13H2,1H3,(H,14,18)(H,16,17)
InChIKeyNEGXANQFFQXOMP-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.31
Rot. Bonds3

About 2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-N-methylacetamide

2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-N-methylacetamide (PubChem CID 43383610) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-N-methylacetamide
PubChem CID43383610
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-N-methylacetamide
SMILESCNC(=O)CNc1cc2c(cc1N)CCC(=O)N2
InChIInChI=1S/C12H16N4O2/c1-14-12(18)6-15-10-5-9-7(4-8(10)13)2-3-11(17)16-9/h4-5,15H,2-3,6,13H2,1H3,(H,14,18)(H,16,17)
InChIKeyNEGXANQFFQXOMP-UHFFFAOYSA-N
XLogP0.31
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-N-cyclopropylacetamide
CID 43568180
2-[(7-amino-2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-N-propan-2-ylacetamide
CID 43567820
6-amino-7-(ethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455516
2-[(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-N-methylacetamide
CID 43479338
6-amino-7-(2-methylpropylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455514
6-amino-7-(1-hydroxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43498917
6-amino-7-[(3-methyl-2-propan-2-ylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 102903606
6-amino-7-[(4-hydroxy-2,2-dimethylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 106140613
7-amino-6-[(3-hydroxy-2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 65034025
N-[2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]ethyl]methanesulfonamide
CID 43545918
6-amino-7-[3-(dimethylamino)propylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43455538
6-amino-7-[(1-hydroxy-2-methylbutan-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 64551358

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-N-methylacetamide?
The IUPAC name of 2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-N-methylacetamide (CID 43383610) is 2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-N-methylacetamide.
What is the SMILES notation for 2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-N-methylacetamide?
The canonical SMILES for 2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-N-methylacetamide is CNC(=O)CNc1cc2c(cc1N)CCC(=O)N2.
What is the InChIKey of 2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-N-methylacetamide?
The InChIKey is NEGXANQFFQXOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-14-12(18)6-15-10-5-9-7(4-8(10)13)2-3-11(17)16-9/h4-5,15H,2-3,6,13H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-N-methylacetamide?
2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-N-methylacetamide has a molecular weight of 248.29 g/mol, XLogP of 0.31, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-N-methylacetamide is sourced from PubChem (CID 43383610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).