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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Related Compounds

(3E)-3-[(2-chlorophenyl)methylidene]-1-ethyl-2,9-dihydro-1H-pyrrolo[2,1-b]quinazoline
CID 44391330
methyl [6-chloro-2-(3-chlorophenyl)-4-phenylquinazolin-3(4H)-yl]acetate
CID 3808079
2-chloro-12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline
CID 46905532
3-[6-chloro-2-methyl-4-(4-methylphenyl)-4H-quinazolin-3-yl]-N,N-dimethylpropan-1-amine
CID 54669774
6-chloro-4-(4-chlorophenyl)-2-methyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline
CID 54756883
6-chloro-2-methyl-4-(4-methylphenyl)-3-(2-piperidin-1-ylethyl)-4H-quinazoline
CID 54756886
6-chloro-3-[(2-fluorophenyl)methyl]-2-methyl-4-phenyl-4H-quinazoline
CID 54757709
3-[(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)methyl]-N,N-dimethylaniline
CID 54757712
6-chloro-2-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenyl-4H-quinazoline
CID 54757807
3-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)-N,N-dimethylpropan-1-amine
CID 54757898
1-[4-[2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethyl]piperazin-1-yl]-2-(dimethylamino)ethanone
CID 54758096
6-chloro-4-(3-fluorophenyl)-2-methyl-3-(2-piperidin-1-ylethyl)-4H-quinazoline
CID 54758371

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).