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

C15H23N3O2 — CID 106140613

IUPAC6-amino-7-[(4-hydroxy-2,2-dimethylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)(CCO)CNc1cc2c(cc1N)CCC(=O)N2
InChIInChI=1S/C15H23N3O2/c1-15(2,5-6-19)9-17-13-8-12-10(7-11(13)16)3-4-14(20)18-12/h7-8,17,19H,3-6,9,16H2,1-2H3,(H,18,20)
InChIKeyTUHHNQKNCFOACE-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.97
Rot. Bonds5

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

6-amino-7-[(4-hydroxy-2,2-dimethylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 106140613) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 6-amino-7-[(4-hydroxy-2,2-dimethylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-7-[(4-hydroxy-2,2-dimethylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID106140613
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name6-amino-7-[(4-hydroxy-2,2-dimethylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)(CCO)CNc1cc2c(cc1N)CCC(=O)N2
InChIInChI=1S/C15H23N3O2/c1-15(2,5-6-19)9-17-13-8-12-10(7-11(13)16)3-4-14(20)18-12/h7-8,17,19H,3-6,9,16H2,1-2H3,(H,18,20)
InChIKeyTUHHNQKNCFOACE-UHFFFAOYSA-N
XLogP1.97
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

5-amino-6-[(4-hydroxy-2,2-dimethylbutyl)amino]-1,3-dihydroindol-2-one
CID 106140691
6-amino-7-(ethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455516
6-amino-7-(1-hydroxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43498917
6-amino-7-[(1-hydroxy-2-methylbutan-2-yl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 64551358
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-amino-7-[3-(dimethylamino)propylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43455538
6-amino-7-[(3-methyl-2-propan-2-ylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 102903606
6-amino-7-(butan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455512
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-[(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-[(4-hydroxy-2,2-dimethylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-amino-7-[(4-hydroxy-2,2-dimethylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one (CID 106140613) is 6-amino-7-[(4-hydroxy-2,2-dimethylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-7-[(4-hydroxy-2,2-dimethylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-amino-7-[(4-hydroxy-2,2-dimethylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one is CC(C)(CCO)CNc1cc2c(cc1N)CCC(=O)N2.
What is the InChIKey of 6-amino-7-[(4-hydroxy-2,2-dimethylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is TUHHNQKNCFOACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-15(2,5-6-19)9-17-13-8-12-10(7-11(13)16)3-4-14(20)18-12/h7-8,17,19H,3-6,9,16H2,1-2H3,(H,18,20).
What are the key properties of 6-amino-7-[(4-hydroxy-2,2-dimethylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one?
6-amino-7-[(4-hydroxy-2,2-dimethylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 277.37 g/mol, XLogP of 1.97, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-[(4-hydroxy-2,2-dimethylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 106140613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).