[4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-phenylmethanone

C25H24ClNO — CID 3124468

IUPAC[4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-phenylmethanone
SMILESCC1(c2ccc(Cl)cc2)CC(C)(C)N(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C25H24ClNO/c1-24(2)17-25(3,19-13-15-20(26)16-14-19)21-11-7-8-12-22(21)27(24)23(28)18-9-5-4-6-10-18/h4-16H,17H2,1-3H3
InChIKeyOPIOQEXYTWWMKZ-UHFFFAOYSA-N
MW389.93 g/mol
LogP6.48
Rot. Bonds2

About [4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-phenylmethanone

[4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-phenylmethanone (PubChem CID 3124468) has the molecular formula C25H24ClNO and a molecular weight of 389.93 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-phenylmethanone
PubChem CID3124468
Molecular FormulaC25H24ClNO
Molecular Weight389.93 g/mol
Exact Mass389.15
IUPAC Name[4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-phenylmethanone
SMILESCC1(c2ccc(Cl)cc2)CC(C)(C)N(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C25H24ClNO/c1-24(2)17-25(3,19-13-15-20(26)16-14-19)21-11-7-8-12-22(21)27(24)23(28)18-9-5-4-6-10-18/h4-16H,17H2,1-3H3
InChIKeyOPIOQEXYTWWMKZ-UHFFFAOYSA-N
XLogP6.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.93
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-phenylmethanone?
The IUPAC name of [4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-phenylmethanone (CID 3124468) is [4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-phenylmethanone is CC1(c2ccc(Cl)cc2)CC(C)(C)N(C(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of [4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-phenylmethanone?
The InChIKey is OPIOQEXYTWWMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClNO/c1-24(2)17-25(3,19-13-15-20(26)16-14-19)21-11-7-8-12-22(21)27(24)23(28)18-9-5-4-6-10-18/h4-16H,17H2,1-3H3.
What are the key properties of [4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-phenylmethanone?
[4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-phenylmethanone has a molecular weight of 389.93 g/mol, XLogP of 6.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-phenylmethanone is sourced from PubChem (CID 3124468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).