6-chloro-3-[(3-chlorophenyl)methyl]-2-methyl-4-phenyl-4H-quinazoline

C22H18Cl2N2 — CID 54757710

IUPAC6-chloro-3-[(3-chlorophenyl)methyl]-2-methyl-4-phenyl-4H-quinazoline
SMILESCC1=Nc2ccc(Cl)cc2C(c2ccccc2)N1Cc1cccc(Cl)c1
InChIInChI=1S/C22H18Cl2N2/c1-15-25-21-11-10-19(24)13-20(21)22(17-7-3-2-4-8-17)26(15)14-16-6-5-9-18(23)12-16/h2-13,22H,14H2,1H3
InChIKeyWBHNYGBOSGGJFP-UHFFFAOYSA-N
MW381.31 g/mol
LogP6.65
Rot. Bonds3

About 6-chloro-3-[(3-chlorophenyl)methyl]-2-methyl-4-phenyl-4H-quinazoline

6-chloro-3-[(3-chlorophenyl)methyl]-2-methyl-4-phenyl-4H-quinazoline (PubChem CID 54757710) has the molecular formula C22H18Cl2N2 and a molecular weight of 381.31 g/mol. Its IUPAC name is 6-chloro-3-[(3-chlorophenyl)methyl]-2-methyl-4-phenyl-4H-quinazoline.

Molecular Properties

Compound Name6-chloro-3-[(3-chlorophenyl)methyl]-2-methyl-4-phenyl-4H-quinazoline
PubChem CID54757710
Molecular FormulaC22H18Cl2N2
Molecular Weight381.31 g/mol
Exact Mass380.08
IUPAC Name6-chloro-3-[(3-chlorophenyl)methyl]-2-methyl-4-phenyl-4H-quinazoline
SMILESCC1=Nc2ccc(Cl)cc2C(c2ccccc2)N1Cc1cccc(Cl)c1
InChIInChI=1S/C22H18Cl2N2/c1-15-25-21-11-10-19(24)13-20(21)22(17-7-3-2-4-8-17)26(15)14-16-6-5-9-18(23)12-16/h2-13,22H,14H2,1H3
InChIKeyWBHNYGBOSGGJFP-UHFFFAOYSA-N
XLogP6.65
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.31
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(3-chlorophenyl)methyl]-2-methyl-4-phenyl-4H-quinazoline?
The IUPAC name of 6-chloro-3-[(3-chlorophenyl)methyl]-2-methyl-4-phenyl-4H-quinazoline (CID 54757710) is 6-chloro-3-[(3-chlorophenyl)methyl]-2-methyl-4-phenyl-4H-quinazoline.
What is the SMILES notation for 6-chloro-3-[(3-chlorophenyl)methyl]-2-methyl-4-phenyl-4H-quinazoline?
The canonical SMILES for 6-chloro-3-[(3-chlorophenyl)methyl]-2-methyl-4-phenyl-4H-quinazoline is CC1=Nc2ccc(Cl)cc2C(c2ccccc2)N1Cc1cccc(Cl)c1.
What is the InChIKey of 6-chloro-3-[(3-chlorophenyl)methyl]-2-methyl-4-phenyl-4H-quinazoline?
The InChIKey is WBHNYGBOSGGJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2/c1-15-25-21-11-10-19(24)13-20(21)22(17-7-3-2-4-8-17)26(15)14-16-6-5-9-18(23)12-16/h2-13,22H,14H2,1H3.
What are the key properties of 6-chloro-3-[(3-chlorophenyl)methyl]-2-methyl-4-phenyl-4H-quinazoline?
6-chloro-3-[(3-chlorophenyl)methyl]-2-methyl-4-phenyl-4H-quinazoline has a molecular weight of 381.31 g/mol, XLogP of 6.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(3-chlorophenyl)methyl]-2-methyl-4-phenyl-4H-quinazoline is sourced from PubChem (CID 54757710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).