(4-aminophenyl)-(7-chloro-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)methanone

C25H25ClN2O — CID 23793476

IUPAC(4-aminophenyl)-(7-chloro-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)methanone
SMILESCC1(c2ccccc2)CC(C)(C)N(C(=O)c2ccc(N)cc2)c2cc(Cl)ccc21
InChIInChI=1S/C25H25ClN2O/c1-24(2)16-25(3,18-7-5-4-6-8-18)21-14-11-19(26)15-22(21)28(24)23(29)17-9-12-20(27)13-10-17/h4-15H,16,27H2,1-3H3
InChIKeyKVJCFJVRNXIJCQ-UHFFFAOYSA-N
MW404.94 g/mol
LogP6.06
Rot. Bonds2

About (4-aminophenyl)-(7-chloro-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)methanone

(4-aminophenyl)-(7-chloro-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)methanone (PubChem CID 23793476) has the molecular formula C25H25ClN2O and a molecular weight of 404.94 g/mol. Its IUPAC name is (4-aminophenyl)-(7-chloro-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(7-chloro-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)methanone
PubChem CID23793476
Molecular FormulaC25H25ClN2O
Molecular Weight404.94 g/mol
Exact Mass404.17
IUPAC Name(4-aminophenyl)-(7-chloro-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)methanone
SMILESCC1(c2ccccc2)CC(C)(C)N(C(=O)c2ccc(N)cc2)c2cc(Cl)ccc21
InChIInChI=1S/C25H25ClN2O/c1-24(2)16-25(3,18-7-5-4-6-8-18)21-14-11-19(26)15-22(21)28(24)23(29)17-9-12-20(27)13-10-17/h4-15H,16,27H2,1-3H3
InChIKeyKVJCFJVRNXIJCQ-UHFFFAOYSA-N
XLogP6.06
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.94
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (4-aminophenyl)-(7-chloro-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)methanone 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 (4-aminophenyl)-(7-chloro-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)methanone?
The IUPAC name of (4-aminophenyl)-(7-chloro-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)methanone (CID 23793476) is (4-aminophenyl)-(7-chloro-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)methanone.
What is the SMILES notation for (4-aminophenyl)-(7-chloro-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)methanone?
The canonical SMILES for (4-aminophenyl)-(7-chloro-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)methanone is CC1(c2ccccc2)CC(C)(C)N(C(=O)c2ccc(N)cc2)c2cc(Cl)ccc21.
What is the InChIKey of (4-aminophenyl)-(7-chloro-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)methanone?
The InChIKey is KVJCFJVRNXIJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O/c1-24(2)16-25(3,18-7-5-4-6-8-18)21-14-11-19(26)15-22(21)28(24)23(29)17-9-12-20(27)13-10-17/h4-15H,16,27H2,1-3H3.
What are the key properties of (4-aminophenyl)-(7-chloro-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)methanone?
(4-aminophenyl)-(7-chloro-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)methanone has a molecular weight of 404.94 g/mol, XLogP of 6.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(7-chloro-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)methanone is sourced from PubChem (CID 23793476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).