6-chloro-2-methyl-2-(4-methylphenyl)-4-phenyl-3,4-dihydro-1H-quinazoline

C22H21ClN2 — CID 15566234

IUPAC6-chloro-2-methyl-2-(4-methylphenyl)-4-phenyl-3,4-dihydro-1H-quinazoline
SMILESCc1ccc(C2(C)Nc3ccc(Cl)cc3C(c3ccccc3)N2)cc1
InChIInChI=1S/C22H21ClN2/c1-15-8-10-17(11-9-15)22(2)24-20-13-12-18(23)14-19(20)21(25-22)16-6-4-3-5-7-16/h3-14,21,24-25H,1-2H3
InChIKeyAKMQFHMUTHMCMS-UHFFFAOYSA-N
MW348.88 g/mol
LogP5.63
Rot. Bonds2

About 6-chloro-2-methyl-2-(4-methylphenyl)-4-phenyl-3,4-dihydro-1H-quinazoline

6-chloro-2-methyl-2-(4-methylphenyl)-4-phenyl-3,4-dihydro-1H-quinazoline (PubChem CID 15566234) has the molecular formula C22H21ClN2 and a molecular weight of 348.88 g/mol. Its IUPAC name is 6-chloro-2-methyl-2-(4-methylphenyl)-4-phenyl-3,4-dihydro-1H-quinazoline.

Molecular Properties

Compound Name6-chloro-2-methyl-2-(4-methylphenyl)-4-phenyl-3,4-dihydro-1H-quinazoline
PubChem CID15566234
Molecular FormulaC22H21ClN2
Molecular Weight348.88 g/mol
Exact Mass348.14
IUPAC Name6-chloro-2-methyl-2-(4-methylphenyl)-4-phenyl-3,4-dihydro-1H-quinazoline
SMILESCc1ccc(C2(C)Nc3ccc(Cl)cc3C(c3ccccc3)N2)cc1
InChIInChI=1S/C22H21ClN2/c1-15-8-10-17(11-9-15)22(2)24-20-13-12-18(23)14-19(20)21(25-22)16-6-4-3-5-7-16/h3-14,21,24-25H,1-2H3
InChIKeyAKMQFHMUTHMCMS-UHFFFAOYSA-N
XLogP5.63
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.88
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-2-(4-methylphenyl)-4-phenyl-3,4-dihydro-1H-quinazoline?
The IUPAC name of 6-chloro-2-methyl-2-(4-methylphenyl)-4-phenyl-3,4-dihydro-1H-quinazoline (CID 15566234) is 6-chloro-2-methyl-2-(4-methylphenyl)-4-phenyl-3,4-dihydro-1H-quinazoline.
What is the SMILES notation for 6-chloro-2-methyl-2-(4-methylphenyl)-4-phenyl-3,4-dihydro-1H-quinazoline?
The canonical SMILES for 6-chloro-2-methyl-2-(4-methylphenyl)-4-phenyl-3,4-dihydro-1H-quinazoline is Cc1ccc(C2(C)Nc3ccc(Cl)cc3C(c3ccccc3)N2)cc1.
What is the InChIKey of 6-chloro-2-methyl-2-(4-methylphenyl)-4-phenyl-3,4-dihydro-1H-quinazoline?
The InChIKey is AKMQFHMUTHMCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2/c1-15-8-10-17(11-9-15)22(2)24-20-13-12-18(23)14-19(20)21(25-22)16-6-4-3-5-7-16/h3-14,21,24-25H,1-2H3.
What are the key properties of 6-chloro-2-methyl-2-(4-methylphenyl)-4-phenyl-3,4-dihydro-1H-quinazoline?
6-chloro-2-methyl-2-(4-methylphenyl)-4-phenyl-3,4-dihydro-1H-quinazoline has a molecular weight of 348.88 g/mol, XLogP of 5.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-2-(4-methylphenyl)-4-phenyl-3,4-dihydro-1H-quinazoline is sourced from PubChem (CID 15566234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).