6-(3-amino-N-methylanilino)-3,4-dihydro-1H-quinolin-2-one

C16H17N3O — CID 117040900

IUPAC6-(3-amino-N-methylanilino)-3,4-dihydro-1H-quinolin-2-one
SMILESCN(c1cccc(N)c1)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C16H17N3O/c1-19(13-4-2-3-12(17)10-13)14-6-7-15-11(9-14)5-8-16(20)18-15/h2-4,6-7,9-10H,5,8,17H2,1H3,(H,18,20)
InChIKeyWQHPXSYTFROUBF-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.92
Rot. Bonds2

About 6-(3-amino-N-methylanilino)-3,4-dihydro-1H-quinolin-2-one

6-(3-amino-N-methylanilino)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 117040900) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 6-(3-amino-N-methylanilino)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(3-amino-N-methylanilino)-3,4-dihydro-1H-quinolin-2-one
PubChem CID117040900
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name6-(3-amino-N-methylanilino)-3,4-dihydro-1H-quinolin-2-one
SMILESCN(c1cccc(N)c1)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C16H17N3O/c1-19(13-4-2-3-12(17)10-13)14-6-7-15-11(9-14)5-8-16(20)18-15/h2-4,6-7,9-10H,5,8,17H2,1H3,(H,18,20)
InChIKeyWQHPXSYTFROUBF-UHFFFAOYSA-N
XLogP2.92
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[2-aminoethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 82493883
methyl N-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamate
CID 115190470
3-amino-N-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
CID 82498531
5-[3-(aminomethyl)-N-methylanilino]-1,3-dihydroindol-2-one
CID 117041520
6-[(1-amino-3-methylbutan-2-yl)-methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 115138025
6-[3-aminopropyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 82496165
2-methyl-2-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propanenitrile
CID 115129137
6-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 12001471
ethyl 2-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]acetate
CID 115257291
6-[methyl(3-sulfanylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 115224727
methyl 3-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propanoate
CID 115232296
3-N-(4-tert-butylphenyl)-3-N-methylbenzene-1,3-diamine
CID 117028859

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-N-methylanilino)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(3-amino-N-methylanilino)-3,4-dihydro-1H-quinolin-2-one (CID 117040900) is 6-(3-amino-N-methylanilino)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(3-amino-N-methylanilino)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(3-amino-N-methylanilino)-3,4-dihydro-1H-quinolin-2-one is CN(c1cccc(N)c1)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-(3-amino-N-methylanilino)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is WQHPXSYTFROUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-19(13-4-2-3-12(17)10-13)14-6-7-15-11(9-14)5-8-16(20)18-15/h2-4,6-7,9-10H,5,8,17H2,1H3,(H,18,20).
What are the key properties of 6-(3-amino-N-methylanilino)-3,4-dihydro-1H-quinolin-2-one?
6-(3-amino-N-methylanilino)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 267.33 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-N-methylanilino)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 117040900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).