6-amino-7-(1-pyridin-4-ylethylamino)-3,4-dihydro-1H-quinolin-2-one

C16H18N4O — CID 43523998

IUPAC6-amino-7-(1-pyridin-4-ylethylamino)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(Nc1cc2c(cc1N)CCC(=O)N2)c1ccncc1
InChIInChI=1S/C16H18N4O/c1-10(11-4-6-18-7-5-11)19-15-9-14-12(8-13(15)17)2-3-16(21)20-14/h4-10,19H,2-3,17H2,1H3,(H,20,21)
InChIKeyKUKFBKZACXHBRR-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.72
Rot. Bonds3

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

6-amino-7-(1-pyridin-4-ylethylamino)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43523998) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 6-amino-7-(1-pyridin-4-ylethylamino)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-7-(1-pyridin-4-ylethylamino)-3,4-dihydro-1H-quinolin-2-one
PubChem CID43523998
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name6-amino-7-(1-pyridin-4-ylethylamino)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(Nc1cc2c(cc1N)CCC(=O)N2)c1ccncc1
InChIInChI=1S/C16H18N4O/c1-10(11-4-6-18-7-5-11)19-15-9-14-12(8-13(15)17)2-3-16(21)20-14/h4-10,19H,2-3,17H2,1H3,(H,20,21)
InChIKeyKUKFBKZACXHBRR-UHFFFAOYSA-N
XLogP2.72
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-amino-6-(1-pyridin-4-ylethylamino)-4H-1,4-benzoxazin-3-one
CID 43523996
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
6-fluoro-7-(1-pyridin-3-ylethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43723948
6-amino-7-(2-methylpropylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455514
7-amino-6-(but-3-en-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 113480802
6-amino-7-[(3-methyl-2-propan-2-ylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 102903606
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-methyl-3-methylsulfanylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 63982484
7-amino-6-(1-pyrrolidin-1-ylpropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 61475284
6-amino-7-[(4-hydroxy-2,2-dimethylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 106140613

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-(1-pyridin-4-ylethylamino)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-amino-7-(1-pyridin-4-ylethylamino)-3,4-dihydro-1H-quinolin-2-one (CID 43523998) is 6-amino-7-(1-pyridin-4-ylethylamino)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-7-(1-pyridin-4-ylethylamino)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-amino-7-(1-pyridin-4-ylethylamino)-3,4-dihydro-1H-quinolin-2-one is CC(Nc1cc2c(cc1N)CCC(=O)N2)c1ccncc1.
What is the InChIKey of 6-amino-7-(1-pyridin-4-ylethylamino)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is KUKFBKZACXHBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-10(11-4-6-18-7-5-11)19-15-9-14-12(8-13(15)17)2-3-16(21)20-14/h4-10,19H,2-3,17H2,1H3,(H,20,21).
What are the key properties of 6-amino-7-(1-pyridin-4-ylethylamino)-3,4-dihydro-1H-quinolin-2-one?
6-amino-7-(1-pyridin-4-ylethylamino)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 282.35 g/mol, XLogP of 2.72, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-(1-pyridin-4-ylethylamino)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43523998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).