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

C15H23N3O — CID 115138025

IUPAC6-[(1-amino-3-methylbutan-2-yl)-methylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)C(CN)N(C)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C15H23N3O/c1-10(2)14(9-16)18(3)12-5-6-13-11(8-12)4-7-15(19)17-13/h5-6,8,10,14H,4,7,9,16H2,1-3H3,(H,17,19)
InChIKeyYRSIQKZJDHLCKP-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.99
Rot. Bonds4

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

6-[(1-amino-3-methylbutan-2-yl)-methylamino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 115138025) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 6-[(1-amino-3-methylbutan-2-yl)-methylamino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(1-amino-3-methylbutan-2-yl)-methylamino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID115138025
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name6-[(1-amino-3-methylbutan-2-yl)-methylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)C(CN)N(C)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C15H23N3O/c1-10(2)14(9-16)18(3)12-5-6-13-11(8-12)4-7-15(19)17-13/h5-6,8,10,14H,4,7,9,16H2,1-3H3,(H,17,19)
InChIKeyYRSIQKZJDHLCKP-UHFFFAOYSA-N
XLogP1.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

6-[2-aminoethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 82493883
6-[3-aminopropyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 82496165
6-[[1-aminopropan-2-yl(methyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 117039998
3-amino-N-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
CID 82498531
6-(3-amino-N-methylanilino)-3,4-dihydro-1H-quinolin-2-one
CID 117040900
ethyl 2-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]acetate
CID 115257291
6-[2-[1-aminopropan-2-yl(methyl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 117040127
methyl N-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamate
CID 115190470
6-[methyl(3-sulfanylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 115224727
4-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanenitrile
CID 115231559
6-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 12001471
methyl 3-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propanoate
CID 115232296

Frequently Asked Questions

What is the IUPAC name of 6-[(1-amino-3-methylbutan-2-yl)-methylamino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(1-amino-3-methylbutan-2-yl)-methylamino]-3,4-dihydro-1H-quinolin-2-one (CID 115138025) is 6-[(1-amino-3-methylbutan-2-yl)-methylamino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(1-amino-3-methylbutan-2-yl)-methylamino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(1-amino-3-methylbutan-2-yl)-methylamino]-3,4-dihydro-1H-quinolin-2-one is CC(C)C(CN)N(C)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-[(1-amino-3-methylbutan-2-yl)-methylamino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is YRSIQKZJDHLCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10(2)14(9-16)18(3)12-5-6-13-11(8-12)4-7-15(19)17-13/h5-6,8,10,14H,4,7,9,16H2,1-3H3,(H,17,19).
What are the key properties of 6-[(1-amino-3-methylbutan-2-yl)-methylamino]-3,4-dihydro-1H-quinolin-2-one?
6-[(1-amino-3-methylbutan-2-yl)-methylamino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 261.37 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-amino-3-methylbutan-2-yl)-methylamino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 115138025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).