7-amino-6-(6-methylheptan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one

C17H27N3O — CID 61469174

IUPAC7-amino-6-(6-methylheptan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)CCCC(C)Nc1cc2c(cc1N)NC(=O)CC2
InChIInChI=1S/C17H27N3O/c1-11(2)5-4-6-12(3)19-16-9-13-7-8-17(21)20-15(13)10-14(16)18/h9-12,19H,4-8,18H2,1-3H3,(H,20,21)
InChIKeyNHEVUUDSRRBTIR-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.78
Rot. Bonds6

About 7-amino-6-(6-methylheptan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one

7-amino-6-(6-methylheptan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 61469174) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 7-amino-6-(6-methylheptan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-amino-6-(6-methylheptan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
PubChem CID61469174
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name7-amino-6-(6-methylheptan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)CCCC(C)Nc1cc2c(cc1N)NC(=O)CC2
InChIInChI=1S/C17H27N3O/c1-11(2)5-4-6-12(3)19-16-9-13-7-8-17(21)20-15(13)10-14(16)18/h9-12,19H,4-8,18H2,1-3H3,(H,20,21)
InChIKeyNHEVUUDSRRBTIR-UHFFFAOYSA-N
XLogP3.78
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-7-(butan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455512
7-amino-6-(1-pyrrolidin-1-ylpropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 61475284
6-amino-7-(1-hydroxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43498917
7-amino-6-(but-3-en-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 113480802
5-amino-6-(hexan-2-ylamino)-1,3-dihydroindol-2-one
CID 62196263
6-fluoro-7-(heptan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43723883
6-amino-7-[(3-methyl-2-propan-2-ylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 102903606
2-[(7-amino-2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-N-propan-2-ylacetamide
CID 43567820
6-amino-7-[methyl(2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 43383607
6-(4-hydroxybutan-2-ylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 83186941
6-amino-7-(ethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455516
5-amino-6-(butan-2-ylamino)-1,3-dihydroindol-2-one
CID 43451662

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-(6-methylheptan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-amino-6-(6-methylheptan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one (CID 61469174) is 7-amino-6-(6-methylheptan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-amino-6-(6-methylheptan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-amino-6-(6-methylheptan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one is CC(C)CCCC(C)Nc1cc2c(cc1N)NC(=O)CC2.
What is the InChIKey of 7-amino-6-(6-methylheptan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is NHEVUUDSRRBTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-11(2)5-4-6-12(3)19-16-9-13-7-8-17(21)20-15(13)10-14(16)18/h9-12,19H,4-8,18H2,1-3H3,(H,20,21).
What are the key properties of 7-amino-6-(6-methylheptan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one?
7-amino-6-(6-methylheptan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 289.42 g/mol, XLogP of 3.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-(6-methylheptan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 61469174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).