1-[6-fluoro-3-methyl-2-[4-(2-phenylphenyl)phenyl]quinolin-4-yl]ethanone

C30H22FNO — CID 10365454

IUPAC1-[6-fluoro-3-methyl-2-[4-(2-phenylphenyl)phenyl]quinolin-4-yl]ethanone
SMILESCC(=O)c1c(C)c(-c2ccc(-c3ccccc3-c3ccccc3)cc2)nc2ccc(F)cc12
InChIInChI=1S/C30H22FNO/c1-19-29(20(2)33)27-18-24(31)16-17-28(27)32-30(19)23-14-12-22(13-15-23)26-11-7-6-10-25(26)21-8-4-3-5-9-21/h3-18H,1-2H3
InChIKeyLMOGMIGRYOECFP-UHFFFAOYSA-N
MW431.51 g/mol
LogP7.89
Rot. Bonds4

About 1-[6-fluoro-3-methyl-2-[4-(2-phenylphenyl)phenyl]quinolin-4-yl]ethanone

1-[6-fluoro-3-methyl-2-[4-(2-phenylphenyl)phenyl]quinolin-4-yl]ethanone (PubChem CID 10365454) has the molecular formula C30H22FNO and a molecular weight of 431.51 g/mol. Its IUPAC name is 1-[6-fluoro-3-methyl-2-[4-(2-phenylphenyl)phenyl]quinolin-4-yl]ethanone.

Molecular Properties

Compound Name1-[6-fluoro-3-methyl-2-[4-(2-phenylphenyl)phenyl]quinolin-4-yl]ethanone
PubChem CID10365454
Molecular FormulaC30H22FNO
Molecular Weight431.51 g/mol
Exact Mass431.17
IUPAC Name1-[6-fluoro-3-methyl-2-[4-(2-phenylphenyl)phenyl]quinolin-4-yl]ethanone
SMILESCC(=O)c1c(C)c(-c2ccc(-c3ccccc3-c3ccccc3)cc2)nc2ccc(F)cc12
InChIInChI=1S/C30H22FNO/c1-19-29(20(2)33)27-18-24(31)16-17-28(27)32-30(19)23-14-12-22(13-15-23)26-11-7-6-10-25(26)21-8-4-3-5-9-21/h3-18H,1-2H3
InChIKeyLMOGMIGRYOECFP-UHFFFAOYSA-N
XLogP7.89
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.51
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[6-fluoro-3-methyl-2-[4-(2-phenylphenyl)phenyl]quinolin-4-yl]ethanone?
The IUPAC name of 1-[6-fluoro-3-methyl-2-[4-(2-phenylphenyl)phenyl]quinolin-4-yl]ethanone (CID 10365454) is 1-[6-fluoro-3-methyl-2-[4-(2-phenylphenyl)phenyl]quinolin-4-yl]ethanone.
What is the SMILES notation for 1-[6-fluoro-3-methyl-2-[4-(2-phenylphenyl)phenyl]quinolin-4-yl]ethanone?
The canonical SMILES for 1-[6-fluoro-3-methyl-2-[4-(2-phenylphenyl)phenyl]quinolin-4-yl]ethanone is CC(=O)c1c(C)c(-c2ccc(-c3ccccc3-c3ccccc3)cc2)nc2ccc(F)cc12.
What is the InChIKey of 1-[6-fluoro-3-methyl-2-[4-(2-phenylphenyl)phenyl]quinolin-4-yl]ethanone?
The InChIKey is LMOGMIGRYOECFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22FNO/c1-19-29(20(2)33)27-18-24(31)16-17-28(27)32-30(19)23-14-12-22(13-15-23)26-11-7-6-10-25(26)21-8-4-3-5-9-21/h3-18H,1-2H3.
What are the key properties of 1-[6-fluoro-3-methyl-2-[4-(2-phenylphenyl)phenyl]quinolin-4-yl]ethanone?
1-[6-fluoro-3-methyl-2-[4-(2-phenylphenyl)phenyl]quinolin-4-yl]ethanone has a molecular weight of 431.51 g/mol, XLogP of 7.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-fluoro-3-methyl-2-[4-(2-phenylphenyl)phenyl]quinolin-4-yl]ethanone is sourced from PubChem (CID 10365454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).