2-[4-chloro-2-(4-methylphenyl)phenyl]-4-(4-methylphenyl)quinazoline

C28H21ClN2 — CID 132599151

IUPAC2-[4-chloro-2-(4-methylphenyl)phenyl]-4-(4-methylphenyl)quinazoline
SMILESCc1ccc(-c2cc(Cl)ccc2-c2nc(-c3ccc(C)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C28H21ClN2/c1-18-7-11-20(12-8-18)25-17-22(29)15-16-23(25)28-30-26-6-4-3-5-24(26)27(31-28)21-13-9-19(2)10-14-21/h3-17H,1-2H3
InChIKeyXDUILFGPRQEAGC-UHFFFAOYSA-N
MW420.94 g/mol
LogP7.90
Rot. Bonds3

About 2-[4-chloro-2-(4-methylphenyl)phenyl]-4-(4-methylphenyl)quinazoline

2-[4-chloro-2-(4-methylphenyl)phenyl]-4-(4-methylphenyl)quinazoline (PubChem CID 132599151) has the molecular formula C28H21ClN2 and a molecular weight of 420.94 g/mol. Its IUPAC name is 2-[4-chloro-2-(4-methylphenyl)phenyl]-4-(4-methylphenyl)quinazoline.

Molecular Properties

Compound Name2-[4-chloro-2-(4-methylphenyl)phenyl]-4-(4-methylphenyl)quinazoline
PubChem CID132599151
Molecular FormulaC28H21ClN2
Molecular Weight420.94 g/mol
Exact Mass420.14
IUPAC Name2-[4-chloro-2-(4-methylphenyl)phenyl]-4-(4-methylphenyl)quinazoline
SMILESCc1ccc(-c2cc(Cl)ccc2-c2nc(-c3ccc(C)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C28H21ClN2/c1-18-7-11-20(12-8-18)25-17-22(29)15-16-23(25)28-30-26-6-4-3-5-24(26)27(31-28)21-13-9-19(2)10-14-21/h3-17H,1-2H3
InChIKeyXDUILFGPRQEAGC-UHFFFAOYSA-N
XLogP7.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.94
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-chloro-2-[4-(4-methylphenyl)quinazolin-2-yl]phenyl] acetate
CID 146165991
2-chloro-4-(4-methylphenyl)quinazoline
CID 3122268
4-phenyl-2-[4-[6-phenyl-2-(4-phenylnaphthalen-1-yl)pyrimidin-4-yl]phenyl]quinazoline
CID 118641165
6-chloro-4-(4-fluorophenyl)-2-(2-methylphenyl)quinazoline
CID 141477649
2-(4-chloro-2-phenylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 155450368
3-carbazol-9-yl-9-[3-phenyl-4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 139315826
4-[4-[2,3-bis[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-2-phenylquinazoline
CID 170025871
2-(4-methoxy-2,6-dimethylphenyl)-4-(4-methylphenyl)quinazoline
CID 177453043
6-(4-methylphenyl)phenanthridine
CID 10707098
4-phenyl-2-[3-[2-[2-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]quinazoline
CID 167202663
4-chloro-2-(2,4-dimethylphenyl)quinazoline
CID 29293283
4-chloro-2-(2-chloro-4-methylphenyl)quinazoline
CID 106860906

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(4-methylphenyl)phenyl]-4-(4-methylphenyl)quinazoline?
The IUPAC name of 2-[4-chloro-2-(4-methylphenyl)phenyl]-4-(4-methylphenyl)quinazoline (CID 132599151) is 2-[4-chloro-2-(4-methylphenyl)phenyl]-4-(4-methylphenyl)quinazoline.
What is the SMILES notation for 2-[4-chloro-2-(4-methylphenyl)phenyl]-4-(4-methylphenyl)quinazoline?
The canonical SMILES for 2-[4-chloro-2-(4-methylphenyl)phenyl]-4-(4-methylphenyl)quinazoline is Cc1ccc(-c2cc(Cl)ccc2-c2nc(-c3ccc(C)cc3)c3ccccc3n2)cc1.
What is the InChIKey of 2-[4-chloro-2-(4-methylphenyl)phenyl]-4-(4-methylphenyl)quinazoline?
The InChIKey is XDUILFGPRQEAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClN2/c1-18-7-11-20(12-8-18)25-17-22(29)15-16-23(25)28-30-26-6-4-3-5-24(26)27(31-28)21-13-9-19(2)10-14-21/h3-17H,1-2H3.
What are the key properties of 2-[4-chloro-2-(4-methylphenyl)phenyl]-4-(4-methylphenyl)quinazoline?
2-[4-chloro-2-(4-methylphenyl)phenyl]-4-(4-methylphenyl)quinazoline has a molecular weight of 420.94 g/mol, XLogP of 7.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(4-methylphenyl)phenyl]-4-(4-methylphenyl)quinazoline is sourced from PubChem (CID 132599151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).