N-(1-acetyl-2,2,4-trimethyl-4-phenyl-3H-quinolin-6-yl)-4-chlorobenzamide

C27H27ClN2O2 — CID 11224637

IUPACN-(1-acetyl-2,2,4-trimethyl-4-phenyl-3H-quinolin-6-yl)-4-chlorobenzamide
SMILESCC(=O)N1c2ccc(NC(=O)c3ccc(Cl)cc3)cc2C(C)(c2ccccc2)CC1(C)C
InChIInChI=1S/C27H27ClN2O2/c1-18(31)30-24-15-14-22(29-25(32)19-10-12-21(28)13-11-19)16-23(24)27(4,17-26(30,2)3)20-8-6-5-7-9-20/h5-16H,17H2,1-4H3,(H,29,32)
InChIKeyXLSXMUPFMSVFQJ-UHFFFAOYSA-N
MW446.98 g/mol
LogP6.43
Rot. Bonds3

About N-(1-acetyl-2,2,4-trimethyl-4-phenyl-3H-quinolin-6-yl)-4-chlorobenzamide

N-(1-acetyl-2,2,4-trimethyl-4-phenyl-3H-quinolin-6-yl)-4-chlorobenzamide (PubChem CID 11224637) has the molecular formula C27H27ClN2O2 and a molecular weight of 446.98 g/mol. Its IUPAC name is N-(1-acetyl-2,2,4-trimethyl-4-phenyl-3H-quinolin-6-yl)-4-chlorobenzamide.

Molecular Properties

Compound NameN-(1-acetyl-2,2,4-trimethyl-4-phenyl-3H-quinolin-6-yl)-4-chlorobenzamide
PubChem CID11224637
Molecular FormulaC27H27ClN2O2
Molecular Weight446.98 g/mol
Exact Mass446.18
IUPAC NameN-(1-acetyl-2,2,4-trimethyl-4-phenyl-3H-quinolin-6-yl)-4-chlorobenzamide
SMILESCC(=O)N1c2ccc(NC(=O)c3ccc(Cl)cc3)cc2C(C)(c2ccccc2)CC1(C)C
InChIInChI=1S/C27H27ClN2O2/c1-18(31)30-24-15-14-22(29-25(32)19-10-12-21(28)13-11-19)16-23(24)27(4,17-26(30,2)3)20-8-6-5-7-9-20/h5-16H,17H2,1-4H3,(H,29,32)
InChIKeyXLSXMUPFMSVFQJ-UHFFFAOYSA-N
XLogP6.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.98
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-acetyl-2,2,4-trimethyl-4-phenyl-3H-quinolin-6-yl)-4-chlorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,2,4-trimethyl-4-phenyl-3H-quinolin-6-yl)-4-chlorobenzamide?
The IUPAC name of N-(1-acetyl-2,2,4-trimethyl-4-phenyl-3H-quinolin-6-yl)-4-chlorobenzamide (CID 11224637) is N-(1-acetyl-2,2,4-trimethyl-4-phenyl-3H-quinolin-6-yl)-4-chlorobenzamide.
What is the SMILES notation for N-(1-acetyl-2,2,4-trimethyl-4-phenyl-3H-quinolin-6-yl)-4-chlorobenzamide?
The canonical SMILES for N-(1-acetyl-2,2,4-trimethyl-4-phenyl-3H-quinolin-6-yl)-4-chlorobenzamide is CC(=O)N1c2ccc(NC(=O)c3ccc(Cl)cc3)cc2C(C)(c2ccccc2)CC1(C)C.
What is the InChIKey of N-(1-acetyl-2,2,4-trimethyl-4-phenyl-3H-quinolin-6-yl)-4-chlorobenzamide?
The InChIKey is XLSXMUPFMSVFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN2O2/c1-18(31)30-24-15-14-22(29-25(32)19-10-12-21(28)13-11-19)16-23(24)27(4,17-26(30,2)3)20-8-6-5-7-9-20/h5-16H,17H2,1-4H3,(H,29,32).
What are the key properties of N-(1-acetyl-2,2,4-trimethyl-4-phenyl-3H-quinolin-6-yl)-4-chlorobenzamide?
N-(1-acetyl-2,2,4-trimethyl-4-phenyl-3H-quinolin-6-yl)-4-chlorobenzamide has a molecular weight of 446.98 g/mol, XLogP of 6.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,2,4-trimethyl-4-phenyl-3H-quinolin-6-yl)-4-chlorobenzamide is sourced from PubChem (CID 11224637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).