6-amino-7-(1-hydroxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one

C12H17N3O2 — CID 43498917

IUPAC6-amino-7-(1-hydroxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(CO)Nc1cc2c(cc1N)CCC(=O)N2
InChIInChI=1S/C12H17N3O2/c1-7(6-16)14-11-5-10-8(4-9(11)13)2-3-12(17)15-10/h4-5,7,14,16H,2-3,6,13H2,1H3,(H,15,17)
InChIKeyLYBGKBCEMORGBO-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.95
Rot. Bonds3

About 6-amino-7-(1-hydroxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one

6-amino-7-(1-hydroxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43498917) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 6-amino-7-(1-hydroxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-7-(1-hydroxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
PubChem CID43498917
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name6-amino-7-(1-hydroxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(CO)Nc1cc2c(cc1N)CCC(=O)N2
InChIInChI=1S/C12H17N3O2/c1-7(6-16)14-11-5-10-8(4-9(11)13)2-3-12(17)15-10/h4-5,7,14,16H,2-3,6,13H2,1H3,(H,15,17)
InChIKeyLYBGKBCEMORGBO-UHFFFAOYSA-N
XLogP0.95
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.95
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

6-amino-7-(butan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455512
5-amino-6-(1-hydroxypropan-2-ylamino)-1,3-dihydroindol-2-one
CID 43498919
7-amino-6-(6-methylheptan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 61469174
6-amino-7-(2-methylpropylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455514
7-amino-6-[(3-hydroxy-2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 65034025
7-amino-6-(1-pyrrolidin-1-ylpropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 61475284
6-amino-7-[(3-methyl-2-propan-2-ylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 102903606
6-amino-7-(ethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455516
6-amino-7-[(4-hydroxy-2,2-dimethylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 106140613
5-amino-6-(butan-2-ylamino)-1,3-dihydroindol-2-one
CID 43451662
2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-N-methylacetamide
CID 43383610
6-amino-7-(1-pyridin-4-ylethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43523998

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-(1-hydroxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-amino-7-(1-hydroxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one (CID 43498917) is 6-amino-7-(1-hydroxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-7-(1-hydroxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-amino-7-(1-hydroxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one is CC(CO)Nc1cc2c(cc1N)CCC(=O)N2.
What is the InChIKey of 6-amino-7-(1-hydroxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is LYBGKBCEMORGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-7(6-16)14-11-5-10-8(4-9(11)13)2-3-12(17)15-10/h4-5,7,14,16H,2-3,6,13H2,1H3,(H,15,17).
What are the key properties of 6-amino-7-(1-hydroxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one?
6-amino-7-(1-hydroxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 235.29 g/mol, XLogP of 0.95, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-(1-hydroxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43498917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).