3-(2,6-dimethylphenyl)imino-2-quinolin-8-ylpyrrolo[3,4-c]pyridin-1-one

C24H18N4O — CID 166443239

IUPAC3-(2,6-dimethylphenyl)imino-2-quinolin-8-ylpyrrolo[3,4-c]pyridin-1-one
SMILESCc1cccc(C)c1/N=C1\c2cnccc2C(=O)N1c1cccc2cccnc12
InChIInChI=1S/C24H18N4O/c1-15-6-3-7-16(2)21(15)27-23-19-14-25-13-11-18(19)24(29)28(23)20-10-4-8-17-9-5-12-26-22(17)20/h3-14H,1-2H3/b27-23+
InChIKeyCHXXIWPKVXATAG-SLEBQGDGSA-N
MW378.44 g/mol
LogP4.99
Rot. Bonds2

About 3-(2,6-dimethylphenyl)imino-2-quinolin-8-ylpyrrolo[3,4-c]pyridin-1-one

3-(2,6-dimethylphenyl)imino-2-quinolin-8-ylpyrrolo[3,4-c]pyridin-1-one (PubChem CID 166443239) has the molecular formula C24H18N4O and a molecular weight of 378.44 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)imino-2-quinolin-8-ylpyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)imino-2-quinolin-8-ylpyrrolo[3,4-c]pyridin-1-one
PubChem CID166443239
Molecular FormulaC24H18N4O
Molecular Weight378.44 g/mol
Exact Mass378.15
IUPAC Name3-(2,6-dimethylphenyl)imino-2-quinolin-8-ylpyrrolo[3,4-c]pyridin-1-one
SMILESCc1cccc(C)c1/N=C1\c2cnccc2C(=O)N1c1cccc2cccnc12
InChIInChI=1S/C24H18N4O/c1-15-6-3-7-16(2)21(15)27-23-19-14-25-13-11-18(19)24(29)28(23)20-10-4-8-17-9-5-12-26-22(17)20/h3-14H,1-2H3/b27-23+
InChIKeyCHXXIWPKVXATAG-SLEBQGDGSA-N
XLogP4.99
TPSA58.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-bromo-3-(2,6-dimethylphenyl)imino-2-quinolin-8-ylisoindol-1-one
CID 122202711
5,6-dichloro-2-quinolin-8-ylisoindole-1,3-dione
CID 2168091
3-quinolin-8-ylimidazolidine-2,4-dione
CID 106702916
3,4-dimethyl-5-methylidene-1-quinolin-8-ylpyrrol-2-one
CID 141397224
6-methyl-3-methylidene-2-quinolin-8-ylisoindol-1-one
CID 141397233
(3Z)-2-quinolin-8-yl-3-[tri(propan-2-yl)silylmethylidene]isoindol-1-one
CID 166443807
2-(3-chloro-2-methylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 20930750
5-bromo-3-methylidene-2-quinolin-8-ylisoindol-1-one
CID 174756197
(3E)-3-benzylidene-5-methoxy-2-quinolin-8-ylisoindol-1-one
CID 122382793
(3Z)-5-methyl-2-quinolin-8-yl-3-(thiophen-2-ylmethylidene)isoindol-1-one
CID 102337270
1-methyl-5-quinolin-8-ylphenanthridin-6-one
CID 164682820
2-(2-acetylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 79671111

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)imino-2-quinolin-8-ylpyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 3-(2,6-dimethylphenyl)imino-2-quinolin-8-ylpyrrolo[3,4-c]pyridin-1-one (CID 166443239) is 3-(2,6-dimethylphenyl)imino-2-quinolin-8-ylpyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 3-(2,6-dimethylphenyl)imino-2-quinolin-8-ylpyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 3-(2,6-dimethylphenyl)imino-2-quinolin-8-ylpyrrolo[3,4-c]pyridin-1-one is Cc1cccc(C)c1/N=C1\c2cnccc2C(=O)N1c1cccc2cccnc12.
What is the InChIKey of 3-(2,6-dimethylphenyl)imino-2-quinolin-8-ylpyrrolo[3,4-c]pyridin-1-one?
The InChIKey is CHXXIWPKVXATAG-SLEBQGDGSA-N. The full InChI is InChI=1S/C24H18N4O/c1-15-6-3-7-16(2)21(15)27-23-19-14-25-13-11-18(19)24(29)28(23)20-10-4-8-17-9-5-12-26-22(17)20/h3-14H,1-2H3/b27-23+.
What are the key properties of 3-(2,6-dimethylphenyl)imino-2-quinolin-8-ylpyrrolo[3,4-c]pyridin-1-one?
3-(2,6-dimethylphenyl)imino-2-quinolin-8-ylpyrrolo[3,4-c]pyridin-1-one has a molecular weight of 378.44 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)imino-2-quinolin-8-ylpyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 166443239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).