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

C13H19N3O — CID 43455478

IUPAC6-amino-7-(diethylamino)-3,4-dihydro-1H-quinolin-2-one
SMILESCCN(CC)c1cc2c(cc1N)CCC(=O)N2
InChIInChI=1S/C13H19N3O/c1-3-16(4-2)12-8-11-9(7-10(12)14)5-6-13(17)15-11/h7-8H,3-6,14H2,1-2H3,(H,15,17)
InChIKeyULEKIISWGMEYMR-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.00
Rot. Bonds3

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

6-amino-7-(diethylamino)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43455478) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 6-amino-7-(diethylamino)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-7-(diethylamino)-3,4-dihydro-1H-quinolin-2-one
PubChem CID43455478
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name6-amino-7-(diethylamino)-3,4-dihydro-1H-quinolin-2-one
SMILESCCN(CC)c1cc2c(cc1N)CCC(=O)N2
InChIInChI=1S/C13H19N3O/c1-3-16(4-2)12-8-11-9(7-10(12)14)5-6-13(17)15-11/h7-8H,3-6,14H2,1-2H3,(H,15,17)
InChIKeyULEKIISWGMEYMR-UHFFFAOYSA-N
XLogP2.00
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.00
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-amino-7-[ethyl(furan-2-ylmethyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 61423702
7-amino-6-[butyl(ethyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 43449753
5-amino-6-[ethyl(propyl)amino]-1,3-dihydroindol-2-one
CID 43451835
6-amino-7-[2-hydroxyethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 43455612
6-amino-7-[methyl(2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 43383607
7-amino-6-[bis(2-methoxyethyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 43587943
5-amino-6-[ethyl(2-methylpropyl)amino]-1,3-dihydroindol-2-one
CID 43383177
6-amino-7-(ethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455516
6-amino-7-(butan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455512
5-amino-6-[bis(2-methylpropyl)amino]-1,3-dihydroindol-2-one
CID 43587844
6-amino-7-bromo-3,4-dihydro-1H-quinolin-2-one
CID 117209588
6-amino-7-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 63014635

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-(diethylamino)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-amino-7-(diethylamino)-3,4-dihydro-1H-quinolin-2-one (CID 43455478) is 6-amino-7-(diethylamino)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-7-(diethylamino)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-amino-7-(diethylamino)-3,4-dihydro-1H-quinolin-2-one is CCN(CC)c1cc2c(cc1N)CCC(=O)N2.
What is the InChIKey of 6-amino-7-(diethylamino)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ULEKIISWGMEYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-16(4-2)12-8-11-9(7-10(12)14)5-6-13(17)15-11/h7-8H,3-6,14H2,1-2H3,(H,15,17).
What are the key properties of 6-amino-7-(diethylamino)-3,4-dihydro-1H-quinolin-2-one?
6-amino-7-(diethylamino)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-(diethylamino)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43455478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).