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

C13H19N3O — CID 43455512

IUPAC6-amino-7-(butan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
SMILESCCC(C)Nc1cc2c(cc1N)CCC(=O)N2
InChIInChI=1S/C13H19N3O/c1-3-8(2)15-12-7-11-9(6-10(12)14)4-5-13(17)16-11/h6-8,15H,3-5,14H2,1-2H3,(H,16,17)
InChIKeyZOFWZICTIYWOQZ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.36
Rot. Bonds3

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

6-amino-7-(butan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43455512) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 6-amino-7-(butan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-7-(butan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
PubChem CID43455512
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name6-amino-7-(butan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
SMILESCCC(C)Nc1cc2c(cc1N)CCC(=O)N2
InChIInChI=1S/C13H19N3O/c1-3-8(2)15-12-7-11-9(6-10(12)14)4-5-13(17)16-11/h6-8,15H,3-5,14H2,1-2H3,(H,16,17)
InChIKeyZOFWZICTIYWOQZ-UHFFFAOYSA-N
XLogP2.36
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.36
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-(1-hydroxypropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43498917
5-amino-6-(butan-2-ylamino)-1,3-dihydroindol-2-one
CID 43451662
7-amino-6-(1-pyrrolidin-1-ylpropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 61475284
6-amino-7-(ethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455516
7-amino-6-(6-methylheptan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 61469174
6-amino-7-(2-methylpropylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455514
7-amino-6-(butan-2-ylamino)-4H-1,4-benzoxazin-3-one
CID 43479169
6-amino-7-[(3-methyl-2-propan-2-ylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 102903606
6-amino-7-(1-pyridin-4-ylethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43523998
7-amino-6-(but-3-en-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 113480802
5-amino-6-(1-hydroxypropan-2-ylamino)-1,3-dihydroindol-2-one
CID 43498919
5-amino-6-(hexan-2-ylamino)-1,3-dihydroindol-2-one
CID 62196263

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-(butan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-amino-7-(butan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one (CID 43455512) is 6-amino-7-(butan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-7-(butan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-amino-7-(butan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one is CCC(C)Nc1cc2c(cc1N)CCC(=O)N2.
What is the InChIKey of 6-amino-7-(butan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ZOFWZICTIYWOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-8(2)15-12-7-11-9(6-10(12)14)4-5-13(17)16-11/h6-8,15H,3-5,14H2,1-2H3,(H,16,17).
What are the key properties of 6-amino-7-(butan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one?
6-amino-7-(butan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-(butan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43455512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).