1-[2,2,4-trimethyl-4-phenyl-6-[(4-phenylphenyl)methoxy]-3H-quinolin-1-yl]ethanone

C33H33NO2 — CID 11190706

IUPAC1-[2,2,4-trimethyl-4-phenyl-6-[(4-phenylphenyl)methoxy]-3H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(OCc3ccc(-c4ccccc4)cc3)cc2C(C)(c2ccccc2)CC1(C)C
InChIInChI=1S/C33H33NO2/c1-24(35)34-31-20-19-29(36-22-25-15-17-27(18-16-25)26-11-7-5-8-12-26)21-30(31)33(4,23-32(34,2)3)28-13-9-6-10-14-28/h5-21H,22-23H2,1-4H3
InChIKeyGOZACAOMDPYIPZ-UHFFFAOYSA-N
MW475.63 g/mol
LogP7.77
Rot. Bonds5

About 1-[2,2,4-trimethyl-4-phenyl-6-[(4-phenylphenyl)methoxy]-3H-quinolin-1-yl]ethanone

1-[2,2,4-trimethyl-4-phenyl-6-[(4-phenylphenyl)methoxy]-3H-quinolin-1-yl]ethanone (PubChem CID 11190706) has the molecular formula C33H33NO2 and a molecular weight of 475.63 g/mol. Its IUPAC name is 1-[2,2,4-trimethyl-4-phenyl-6-[(4-phenylphenyl)methoxy]-3H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2,2,4-trimethyl-4-phenyl-6-[(4-phenylphenyl)methoxy]-3H-quinolin-1-yl]ethanone
PubChem CID11190706
Molecular FormulaC33H33NO2
Molecular Weight475.63 g/mol
Exact Mass475.25
IUPAC Name1-[2,2,4-trimethyl-4-phenyl-6-[(4-phenylphenyl)methoxy]-3H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(OCc3ccc(-c4ccccc4)cc3)cc2C(C)(c2ccccc2)CC1(C)C
InChIInChI=1S/C33H33NO2/c1-24(35)34-31-20-19-29(36-22-25-15-17-27(18-16-25)26-11-7-5-8-12-26)21-30(31)33(4,23-32(34,2)3)28-13-9-6-10-14-28/h5-21H,22-23H2,1-4H3
InChIKeyGOZACAOMDPYIPZ-UHFFFAOYSA-N
XLogP7.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.63
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2,2,4-trimethyl-4-phenyl-6-[(4-phenylphenyl)methoxy]-3H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[2,2,4-trimethyl-4-phenyl-6-[(4-phenylphenyl)methoxy]-3H-quinolin-1-yl]ethanone (CID 11190706) is 1-[2,2,4-trimethyl-4-phenyl-6-[(4-phenylphenyl)methoxy]-3H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[2,2,4-trimethyl-4-phenyl-6-[(4-phenylphenyl)methoxy]-3H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[2,2,4-trimethyl-4-phenyl-6-[(4-phenylphenyl)methoxy]-3H-quinolin-1-yl]ethanone is CC(=O)N1c2ccc(OCc3ccc(-c4ccccc4)cc3)cc2C(C)(c2ccccc2)CC1(C)C.
What is the InChIKey of 1-[2,2,4-trimethyl-4-phenyl-6-[(4-phenylphenyl)methoxy]-3H-quinolin-1-yl]ethanone?
The InChIKey is GOZACAOMDPYIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33NO2/c1-24(35)34-31-20-19-29(36-22-25-15-17-27(18-16-25)26-11-7-5-8-12-26)21-30(31)33(4,23-32(34,2)3)28-13-9-6-10-14-28/h5-21H,22-23H2,1-4H3.
What are the key properties of 1-[2,2,4-trimethyl-4-phenyl-6-[(4-phenylphenyl)methoxy]-3H-quinolin-1-yl]ethanone?
1-[2,2,4-trimethyl-4-phenyl-6-[(4-phenylphenyl)methoxy]-3H-quinolin-1-yl]ethanone has a molecular weight of 475.63 g/mol, XLogP of 7.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2,4-trimethyl-4-phenyl-6-[(4-phenylphenyl)methoxy]-3H-quinolin-1-yl]ethanone is sourced from PubChem (CID 11190706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).