7-amino-6-[(3-hydroxy-2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one

C13H19N3O2 — CID 65034025

IUPAC7-amino-6-[(3-hydroxy-2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(CO)CNc1cc2c(cc1N)NC(=O)CC2
InChIInChI=1S/C13H19N3O2/c1-8(7-17)6-15-12-4-9-2-3-13(18)16-11(9)5-10(12)14/h4-5,8,15,17H,2-3,6-7,14H2,1H3,(H,16,18)
InChIKeyJJKDREUNOKIVDA-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.19
Rot. Bonds4

About 7-amino-6-[(3-hydroxy-2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one

7-amino-6-[(3-hydroxy-2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 65034025) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 7-amino-6-[(3-hydroxy-2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-amino-6-[(3-hydroxy-2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID65034025
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name7-amino-6-[(3-hydroxy-2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(CO)CNc1cc2c(cc1N)NC(=O)CC2
InChIInChI=1S/C13H19N3O2/c1-8(7-17)6-15-12-4-9-2-3-13(18)16-11(9)5-10(12)14/h4-5,8,15,17H,2-3,6-7,14H2,1H3,(H,16,18)
InChIKeyJJKDREUNOKIVDA-UHFFFAOYSA-N
XLogP1.19
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-amino-6-[(3-hydroxy-2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-amino-7-(2-methylpropylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455514
6-amino-7-[(2-methyl-3-methylsulfanylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 63982484
2-[(7-amino-2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-N-propan-2-ylacetamide
CID 43567820
6-amino-7-[(3-methyl-2-propan-2-ylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 102903606
6-amino-7-(1-hydroxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43498917
7-amino-6-(3-hydroxy-2-methylpropyl)sulfanyl-3,4-dihydro-1H-quinolin-2-one
CID 66103975
7-amino-6-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43449799
6-amino-7-(ethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455516
2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-N-methylacetamide
CID 43383610
7-amino-6-(but-3-en-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 113480802
7-amino-6-(1-pyrrolidin-1-ylpropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 61475284
6-amino-7-[(4-hydroxy-2,2-dimethylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 106140613

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-[(3-hydroxy-2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-amino-6-[(3-hydroxy-2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one (CID 65034025) is 7-amino-6-[(3-hydroxy-2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-amino-6-[(3-hydroxy-2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-amino-6-[(3-hydroxy-2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one is CC(CO)CNc1cc2c(cc1N)NC(=O)CC2.
What is the InChIKey of 7-amino-6-[(3-hydroxy-2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is JJKDREUNOKIVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8(7-17)6-15-12-4-9-2-3-13(18)16-11(9)5-10(12)14/h4-5,8,15,17H,2-3,6-7,14H2,1H3,(H,16,18).
What are the key properties of 7-amino-6-[(3-hydroxy-2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one?
7-amino-6-[(3-hydroxy-2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 249.31 g/mol, XLogP of 1.19, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-[(3-hydroxy-2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 65034025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).