3-(4-aminophenyl)-1,6-dimethyl-8-(2-oxo-1H-pyridin-3-yl)quinolin-2-one

C22H19N3O2 — CID 89033642

IUPAC3-(4-aminophenyl)-1,6-dimethyl-8-(2-oxo-1H-pyridin-3-yl)quinolin-2-one
SMILESCc1cc(-c2ccc[nH]c2=O)c2c(c1)cc(-c1ccc(N)cc1)c(=O)n2C
InChIInChI=1S/C22H19N3O2/c1-13-10-15-12-18(14-5-7-16(23)8-6-14)22(27)25(2)20(15)19(11-13)17-4-3-9-24-21(17)26/h3-12H,23H2,1-2H3,(H,24,26)
InChIKeyPZTCSIZUNOXUOJ-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.45
Rot. Bonds2

About 3-(4-aminophenyl)-1,6-dimethyl-8-(2-oxo-1H-pyridin-3-yl)quinolin-2-one

3-(4-aminophenyl)-1,6-dimethyl-8-(2-oxo-1H-pyridin-3-yl)quinolin-2-one (PubChem CID 89033642) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-(4-aminophenyl)-1,6-dimethyl-8-(2-oxo-1H-pyridin-3-yl)quinolin-2-one.

Molecular Properties

Compound Name3-(4-aminophenyl)-1,6-dimethyl-8-(2-oxo-1H-pyridin-3-yl)quinolin-2-one
PubChem CID89033642
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name3-(4-aminophenyl)-1,6-dimethyl-8-(2-oxo-1H-pyridin-3-yl)quinolin-2-one
SMILESCc1cc(-c2ccc[nH]c2=O)c2c(c1)cc(-c1ccc(N)cc1)c(=O)n2C
InChIInChI=1S/C22H19N3O2/c1-13-10-15-12-18(14-5-7-16(23)8-6-14)22(27)25(2)20(15)19(11-13)17-4-3-9-24-21(17)26/h3-12H,23H2,1-2H3,(H,24,26)
InChIKeyPZTCSIZUNOXUOJ-UHFFFAOYSA-N
XLogP3.45
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ameltolide
CID 13086
2-butyl-6-(butylamino)-1H-benzo(de)isoquinoline-1,3(2H)-dione
CID 87935
4-(N-methyl-2-phenylethylamino)-1-(3,5-dimethyl-4-propionylaminobenzoyl)piperidine
CID 219020
(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
CID 6450842
N,N'-((4-(dimethylamino)phenyl)methylene)bis(2-phenylacetamide)
CID 4296438
N-(2-Hydroxy-quinolin-4-ylmethyl)-N-phenyl-propionamide
CID 943545
Opc 28326
CID 219019
Propanamide, N-(2,6-dimethyl-4-((4-(methyl(2-phenylethyl)amino)-1-piperidinyl)carbonyl)phenyl)-, hydrochloride, hydrate (1:1:1)
CID 15942713
6-ethyl-4-oxo-N-propyl-1H-quinoline-3-carboxamide
CID 11521736
N-butyl-6-ethyl-4-oxo-1H-quinoline-3-carboxamide
CID 11673471
6-benzyl-4-oxo-N-propyl-1H-quinoline-3-carboxamide
CID 44409492
(3E)-3-{[4-(dimethylamino)phenyl]methylidene}-2,3-dihydro-1H-indol-2-one
CID 5353593

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-1,6-dimethyl-8-(2-oxo-1H-pyridin-3-yl)quinolin-2-one?
The IUPAC name of 3-(4-aminophenyl)-1,6-dimethyl-8-(2-oxo-1H-pyridin-3-yl)quinolin-2-one (CID 89033642) is 3-(4-aminophenyl)-1,6-dimethyl-8-(2-oxo-1H-pyridin-3-yl)quinolin-2-one.
What is the SMILES notation for 3-(4-aminophenyl)-1,6-dimethyl-8-(2-oxo-1H-pyridin-3-yl)quinolin-2-one?
The canonical SMILES for 3-(4-aminophenyl)-1,6-dimethyl-8-(2-oxo-1H-pyridin-3-yl)quinolin-2-one is Cc1cc(-c2ccc[nH]c2=O)c2c(c1)cc(-c1ccc(N)cc1)c(=O)n2C.
What is the InChIKey of 3-(4-aminophenyl)-1,6-dimethyl-8-(2-oxo-1H-pyridin-3-yl)quinolin-2-one?
The InChIKey is PZTCSIZUNOXUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-13-10-15-12-18(14-5-7-16(23)8-6-14)22(27)25(2)20(15)19(11-13)17-4-3-9-24-21(17)26/h3-12H,23H2,1-2H3,(H,24,26).
What are the key properties of 3-(4-aminophenyl)-1,6-dimethyl-8-(2-oxo-1H-pyridin-3-yl)quinolin-2-one?
3-(4-aminophenyl)-1,6-dimethyl-8-(2-oxo-1H-pyridin-3-yl)quinolin-2-one has a molecular weight of 357.41 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-1,6-dimethyl-8-(2-oxo-1H-pyridin-3-yl)quinolin-2-one is sourced from PubChem (CID 89033642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).