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

C14H21N3O2 — CID 64551358

IUPAC6-amino-7-[(1-hydroxy-2-methylbutan-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCCC(C)(CO)Nc1cc2c(cc1N)CCC(=O)N2
InChIInChI=1S/C14H21N3O2/c1-3-14(2,8-18)17-12-7-11-9(6-10(12)15)4-5-13(19)16-11/h6-7,17-18H,3-5,8,15H2,1-2H3,(H,16,19)
InChIKeyXXGJAVGXMBTGPY-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.73
Rot. Bonds4

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

6-amino-7-[(1-hydroxy-2-methylbutan-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 64551358) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-amino-7-[(1-hydroxy-2-methylbutan-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-7-[(1-hydroxy-2-methylbutan-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID64551358
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name6-amino-7-[(1-hydroxy-2-methylbutan-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCCC(C)(CO)Nc1cc2c(cc1N)CCC(=O)N2
InChIInChI=1S/C14H21N3O2/c1-3-14(2,8-18)17-12-7-11-9(6-10(12)15)4-5-13(19)16-11/h6-7,17-18H,3-5,8,15H2,1-2H3,(H,16,19)
InChIKeyXXGJAVGXMBTGPY-UHFFFAOYSA-N
XLogP1.73
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
6-amino-7-(1-hydroxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43498917
6-amino-7-(2-methylpropylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455514
2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-N-methylacetamide
CID 43383610
6-fluoro-7-[[2-(hydroxymethyl)-2-methylbutyl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 81412914
6-amino-7-(butan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455512
5-amino-6-[(2-ethyl-2-hydroxybutyl)amino]-1,3-dihydroindol-2-one
CID 65103163
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-[(2-methyl-3-methylsulfanylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 63982484

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-[(1-hydroxy-2-methylbutan-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-amino-7-[(1-hydroxy-2-methylbutan-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one (CID 64551358) is 6-amino-7-[(1-hydroxy-2-methylbutan-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-7-[(1-hydroxy-2-methylbutan-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-amino-7-[(1-hydroxy-2-methylbutan-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one is CCC(C)(CO)Nc1cc2c(cc1N)CCC(=O)N2.
What is the InChIKey of 6-amino-7-[(1-hydroxy-2-methylbutan-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is XXGJAVGXMBTGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-14(2,8-18)17-12-7-11-9(6-10(12)15)4-5-13(19)16-11/h6-7,17-18H,3-5,8,15H2,1-2H3,(H,16,19).
What are the key properties of 6-amino-7-[(1-hydroxy-2-methylbutan-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one?
6-amino-7-[(1-hydroxy-2-methylbutan-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 263.34 g/mol, XLogP of 1.73, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-[(1-hydroxy-2-methylbutan-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 64551358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).