1-(2-tert-butylphenyl)-2-(4-chlorophenyl)quinolin-4-one

C25H22ClNO — CID 102439993

IUPAC1-(2-tert-butylphenyl)-2-(4-chlorophenyl)quinolin-4-one
SMILESCC(C)(C)c1ccccc1-n1c(-c2ccc(Cl)cc2)cc(=O)c2ccccc21
InChIInChI=1S/C25H22ClNO/c1-25(2,3)20-9-5-7-11-22(20)27-21-10-6-4-8-19(21)24(28)16-23(27)17-12-14-18(26)15-13-17/h4-16H,1-3H3
InChIKeyFJRLGWFHGBVGCI-UHFFFAOYSA-N
MW387.91 g/mol
LogP6.61
Rot. Bonds2

About 1-(2-tert-butylphenyl)-2-(4-chlorophenyl)quinolin-4-one

1-(2-tert-butylphenyl)-2-(4-chlorophenyl)quinolin-4-one (PubChem CID 102439993) has the molecular formula C25H22ClNO and a molecular weight of 387.91 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-2-(4-chlorophenyl)quinolin-4-one.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-2-(4-chlorophenyl)quinolin-4-one
PubChem CID102439993
Molecular FormulaC25H22ClNO
Molecular Weight387.91 g/mol
Exact Mass387.14
IUPAC Name1-(2-tert-butylphenyl)-2-(4-chlorophenyl)quinolin-4-one
SMILESCC(C)(C)c1ccccc1-n1c(-c2ccc(Cl)cc2)cc(=O)c2ccccc21
InChIInChI=1S/C25H22ClNO/c1-25(2,3)20-9-5-7-11-22(20)27-21-10-6-4-8-19(21)24(28)16-23(27)17-12-14-18(26)15-13-17/h4-16H,1-3H3
InChIKeyFJRLGWFHGBVGCI-UHFFFAOYSA-N
XLogP6.61
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.91
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-2-phenylquinolin-4-one
CID 102287989
2-(3-chlorophenyl)-1-phenylquinolin-4-one
CID 102171684
9-[2-tert-butyl-5-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 58163336
1-tert-butyl-2-phenylquinolin-4-one
CID 166440287
9-[2-[4-(4-chlorophenyl)phenyl]phenyl]carbazole
CID 142416174
9-(2,5-ditert-butylphenyl)carbazole
CID 143599034
9-(2-tert-butylphenyl)-3-[4-[3-[4-[9-(2-tert-butylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole
CID 59702478
3-(4-chlorophenyl)-9-[2-(4-phenylphenyl)phenyl]carbazole
CID 167454727
3-(4-chlorophenyl)-9-phenylcarbazole
CID 59365524
4-(4-oxo-2-phenylquinolin-1-yl)benzonitrile
CID 102287988
1-(4-nitrophenyl)-2-phenylquinolin-4-one
CID 44632197
3,6-bis[3,5-bis[3,4,5-tris(trifluoromethyl)phenyl]phenyl]-9-(2-tert-butylphenyl)carbazole
CID 170285666

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-2-(4-chlorophenyl)quinolin-4-one?
The IUPAC name of 1-(2-tert-butylphenyl)-2-(4-chlorophenyl)quinolin-4-one (CID 102439993) is 1-(2-tert-butylphenyl)-2-(4-chlorophenyl)quinolin-4-one.
What is the SMILES notation for 1-(2-tert-butylphenyl)-2-(4-chlorophenyl)quinolin-4-one?
The canonical SMILES for 1-(2-tert-butylphenyl)-2-(4-chlorophenyl)quinolin-4-one is CC(C)(C)c1ccccc1-n1c(-c2ccc(Cl)cc2)cc(=O)c2ccccc21.
What is the InChIKey of 1-(2-tert-butylphenyl)-2-(4-chlorophenyl)quinolin-4-one?
The InChIKey is FJRLGWFHGBVGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClNO/c1-25(2,3)20-9-5-7-11-22(20)27-21-10-6-4-8-19(21)24(28)16-23(27)17-12-14-18(26)15-13-17/h4-16H,1-3H3.
What are the key properties of 1-(2-tert-butylphenyl)-2-(4-chlorophenyl)quinolin-4-one?
1-(2-tert-butylphenyl)-2-(4-chlorophenyl)quinolin-4-one has a molecular weight of 387.91 g/mol, XLogP of 6.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-2-(4-chlorophenyl)quinolin-4-one is sourced from PubChem (CID 102439993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).