3,4-bis(4-acetylphenyl)-1-pyridin-2-ylquinolin-2-one

C30H22N2O3 — CID 166443047

IUPAC3,4-bis(4-acetylphenyl)-1-pyridin-2-ylquinolin-2-one
SMILESCC(=O)c1ccc(-c2c(-c3ccc(C(C)=O)cc3)c3ccccc3n(-c3ccccn3)c2=O)cc1
InChIInChI=1S/C30H22N2O3/c1-19(33)21-10-14-23(15-11-21)28-25-7-3-4-8-26(25)32(27-9-5-6-18-31-27)30(35)29(28)24-16-12-22(13-17-24)20(2)34/h3-18H,1-2H3
InChIKeyMBRIUGPGDJFOOQ-UHFFFAOYSA-N
MW458.52 g/mol
LogP6.12
Rot. Bonds5

About 3,4-bis(4-acetylphenyl)-1-pyridin-2-ylquinolin-2-one

3,4-bis(4-acetylphenyl)-1-pyridin-2-ylquinolin-2-one (PubChem CID 166443047) has the molecular formula C30H22N2O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is 3,4-bis(4-acetylphenyl)-1-pyridin-2-ylquinolin-2-one.

Molecular Properties

Compound Name3,4-bis(4-acetylphenyl)-1-pyridin-2-ylquinolin-2-one
PubChem CID166443047
Molecular FormulaC30H22N2O3
Molecular Weight458.52 g/mol
Exact Mass458.16
IUPAC Name3,4-bis(4-acetylphenyl)-1-pyridin-2-ylquinolin-2-one
SMILESCC(=O)c1ccc(-c2c(-c3ccc(C(C)=O)cc3)c3ccccc3n(-c3ccccn3)c2=O)cc1
InChIInChI=1S/C30H22N2O3/c1-19(33)21-10-14-23(15-11-21)28-25-7-3-4-8-26(25)32(27-9-5-6-18-31-27)30(35)29(28)24-16-12-22(13-17-24)20(2)34/h3-18H,1-2H3
InChIKeyMBRIUGPGDJFOOQ-UHFFFAOYSA-N
XLogP6.12
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.52
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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1-[3-(4-methylphenyl)-1-pyridin-2-ylindol-2-yl]butan-1-ol
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9-chloro-5-pyridin-2-ylphenanthridin-6-one
CID 154707535
1-[4-[3-(4-acetylphenyl)-2-pyridin-2-ylphenyl]phenyl]ethanone
CID 24786462
3-(9-iodocarbazol-3-yl)-9-pyridin-2-ylcarbazole
CID 135198280
5-pyridin-2-ylbenzimidazolo[2,1-b]quinazolin-12-one
CID 164671964
[4-[5,11-diphenyl-12-[4-(pyridine-2-carbonyl)phenyl]indolo[3,2-b]carbazol-6-yl]phenyl]-pyridin-2-ylmethanone
CID 155081209
methyl 2-(2-methyl-1-pyridin-2-ylindol-3-yl)acetate
CID 132539705
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole
CID 134442866
9-pyridin-2-ylcarbazol-3-amine
CID 135208084
9-pyridin-2-yl-6-[4-(10-pyridin-2-ylanthracen-9-yl)phenyl]pyrido[2,3-b]indole
CID 118403871
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole
CID 166905670

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(4-acetylphenyl)-1-pyridin-2-ylquinolin-2-one?
The IUPAC name of 3,4-bis(4-acetylphenyl)-1-pyridin-2-ylquinolin-2-one (CID 166443047) is 3,4-bis(4-acetylphenyl)-1-pyridin-2-ylquinolin-2-one.
What is the SMILES notation for 3,4-bis(4-acetylphenyl)-1-pyridin-2-ylquinolin-2-one?
The canonical SMILES for 3,4-bis(4-acetylphenyl)-1-pyridin-2-ylquinolin-2-one is CC(=O)c1ccc(-c2c(-c3ccc(C(C)=O)cc3)c3ccccc3n(-c3ccccn3)c2=O)cc1.
What is the InChIKey of 3,4-bis(4-acetylphenyl)-1-pyridin-2-ylquinolin-2-one?
The InChIKey is MBRIUGPGDJFOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2O3/c1-19(33)21-10-14-23(15-11-21)28-25-7-3-4-8-26(25)32(27-9-5-6-18-31-27)30(35)29(28)24-16-12-22(13-17-24)20(2)34/h3-18H,1-2H3.
What are the key properties of 3,4-bis(4-acetylphenyl)-1-pyridin-2-ylquinolin-2-one?
3,4-bis(4-acetylphenyl)-1-pyridin-2-ylquinolin-2-one has a molecular weight of 458.52 g/mol, XLogP of 6.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(4-acetylphenyl)-1-pyridin-2-ylquinolin-2-one is sourced from PubChem (CID 166443047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).