3-benzyl-6-chloro-2-methyl-4-phenyl-4H-quinazoline

C22H19ClN2 — CID 54757706

IUPAC3-benzyl-6-chloro-2-methyl-4-phenyl-4H-quinazoline
SMILESCC1=Nc2ccc(Cl)cc2C(c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C22H19ClN2/c1-16-24-21-13-12-19(23)14-20(21)22(18-10-6-3-7-11-18)25(16)15-17-8-4-2-5-9-17/h2-14,22H,15H2,1H3
InChIKeyHYYQDTGAVFYWEW-UHFFFAOYSA-N
MW346.86 g/mol
LogP6.00
Rot. Bonds3

About 3-benzyl-6-chloro-2-methyl-4-phenyl-4H-quinazoline

3-benzyl-6-chloro-2-methyl-4-phenyl-4H-quinazoline (PubChem CID 54757706) has the molecular formula C22H19ClN2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 3-benzyl-6-chloro-2-methyl-4-phenyl-4H-quinazoline.

Molecular Properties

Compound Name3-benzyl-6-chloro-2-methyl-4-phenyl-4H-quinazoline
PubChem CID54757706
Molecular FormulaC22H19ClN2
Molecular Weight346.86 g/mol
Exact Mass346.12
IUPAC Name3-benzyl-6-chloro-2-methyl-4-phenyl-4H-quinazoline
SMILESCC1=Nc2ccc(Cl)cc2C(c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C22H19ClN2/c1-16-24-21-13-12-19(23)14-20(21)22(18-10-6-3-7-11-18)25(16)15-17-8-4-2-5-9-17/h2-14,22H,15H2,1H3
InChIKeyHYYQDTGAVFYWEW-UHFFFAOYSA-N
XLogP6.00
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.86
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-chloro-2-methyl-4-phenyl-4H-quinazoline?
The IUPAC name of 3-benzyl-6-chloro-2-methyl-4-phenyl-4H-quinazoline (CID 54757706) is 3-benzyl-6-chloro-2-methyl-4-phenyl-4H-quinazoline.
What is the SMILES notation for 3-benzyl-6-chloro-2-methyl-4-phenyl-4H-quinazoline?
The canonical SMILES for 3-benzyl-6-chloro-2-methyl-4-phenyl-4H-quinazoline is CC1=Nc2ccc(Cl)cc2C(c2ccccc2)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-6-chloro-2-methyl-4-phenyl-4H-quinazoline?
The InChIKey is HYYQDTGAVFYWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2/c1-16-24-21-13-12-19(23)14-20(21)22(18-10-6-3-7-11-18)25(16)15-17-8-4-2-5-9-17/h2-14,22H,15H2,1H3.
What are the key properties of 3-benzyl-6-chloro-2-methyl-4-phenyl-4H-quinazoline?
3-benzyl-6-chloro-2-methyl-4-phenyl-4H-quinazoline has a molecular weight of 346.86 g/mol, XLogP of 6.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-chloro-2-methyl-4-phenyl-4H-quinazoline is sourced from PubChem (CID 54757706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).