6-amino-7-[(3-methyl-2-propan-2-ylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one

C17H27N3O — CID 102903606

IUPAC6-amino-7-[(3-methyl-2-propan-2-ylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)C(CNc1cc2c(cc1N)CCC(=O)N2)C(C)C
InChIInChI=1S/C17H27N3O/c1-10(2)13(11(3)4)9-19-16-8-15-12(7-14(16)18)5-6-17(21)20-15/h7-8,10-11,13,19H,5-6,9,18H2,1-4H3,(H,20,21)
InChIKeyQRSCRYQVJIAPIC-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.49
Rot. Bonds5

About 6-amino-7-[(3-methyl-2-propan-2-ylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one

6-amino-7-[(3-methyl-2-propan-2-ylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 102903606) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 6-amino-7-[(3-methyl-2-propan-2-ylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-7-[(3-methyl-2-propan-2-ylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID102903606
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name6-amino-7-[(3-methyl-2-propan-2-ylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)C(CNc1cc2c(cc1N)CCC(=O)N2)C(C)C
InChIInChI=1S/C17H27N3O/c1-10(2)13(11(3)4)9-19-16-8-15-12(7-14(16)18)5-6-17(21)20-15/h7-8,10-11,13,19H,5-6,9,18H2,1-4H3,(H,20,21)
InChIKeyQRSCRYQVJIAPIC-UHFFFAOYSA-N
XLogP3.49
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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Launch Full Analysis

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
6-amino-7-(ethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455516
7-amino-6-[(3-hydroxy-2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 65034025
6-amino-7-(butan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455512
6-amino-7-(1-hydroxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43498917
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
N-[2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]ethyl]methanesulfonamide
CID 43545918
6-amino-7-[(4-hydroxy-2,2-dimethylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 106140613
2-[(7-amino-2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-N-propan-2-ylacetamide
CID 43567820
N-[3-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]propyl]methanesulfonamide
CID 106333687

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-[(3-methyl-2-propan-2-ylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-amino-7-[(3-methyl-2-propan-2-ylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one (CID 102903606) is 6-amino-7-[(3-methyl-2-propan-2-ylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-7-[(3-methyl-2-propan-2-ylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-amino-7-[(3-methyl-2-propan-2-ylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one is CC(C)C(CNc1cc2c(cc1N)CCC(=O)N2)C(C)C.
What is the InChIKey of 6-amino-7-[(3-methyl-2-propan-2-ylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is QRSCRYQVJIAPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-10(2)13(11(3)4)9-19-16-8-15-12(7-14(16)18)5-6-17(21)20-15/h7-8,10-11,13,19H,5-6,9,18H2,1-4H3,(H,20,21).
What are the key properties of 6-amino-7-[(3-methyl-2-propan-2-ylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one?
6-amino-7-[(3-methyl-2-propan-2-ylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 289.42 g/mol, XLogP of 3.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-[(3-methyl-2-propan-2-ylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 102903606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).