4-chloro-2-(2,4-dimethylphenyl)quinazoline

C16H13ClN2 — CID 29293283

IUPAC4-chloro-2-(2,4-dimethylphenyl)quinazoline
SMILESCc1ccc(-c2nc(Cl)c3ccccc3n2)c(C)c1
InChIInChI=1S/C16H13ClN2/c1-10-7-8-12(11(2)9-10)16-18-14-6-4-3-5-13(14)15(17)19-16/h3-9H,1-2H3
InChIKeyNGIIJIRBIRQFFA-UHFFFAOYSA-N
MW268.75 g/mol
LogP4.57
Rot. Bonds1

About 4-chloro-2-(2,4-dimethylphenyl)quinazoline

4-chloro-2-(2,4-dimethylphenyl)quinazoline (PubChem CID 29293283) has the molecular formula C16H13ClN2 and a molecular weight of 268.75 g/mol. Its IUPAC name is 4-chloro-2-(2,4-dimethylphenyl)quinazoline.

Molecular Properties

Compound Name4-chloro-2-(2,4-dimethylphenyl)quinazoline
PubChem CID29293283
Molecular FormulaC16H13ClN2
Molecular Weight268.75 g/mol
Exact Mass268.08
IUPAC Name4-chloro-2-(2,4-dimethylphenyl)quinazoline
SMILESCc1ccc(-c2nc(Cl)c3ccccc3n2)c(C)c1
InChIInChI=1S/C16H13ClN2/c1-10-7-8-12(11(2)9-10)16-18-14-6-4-3-5-13(14)15(17)19-16/h3-9H,1-2H3
InChIKeyNGIIJIRBIRQFFA-UHFFFAOYSA-N
XLogP4.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,4-dimethylphenyl)quinazoline?
The IUPAC name of 4-chloro-2-(2,4-dimethylphenyl)quinazoline (CID 29293283) is 4-chloro-2-(2,4-dimethylphenyl)quinazoline.
What is the SMILES notation for 4-chloro-2-(2,4-dimethylphenyl)quinazoline?
The canonical SMILES for 4-chloro-2-(2,4-dimethylphenyl)quinazoline is Cc1ccc(-c2nc(Cl)c3ccccc3n2)c(C)c1.
What is the InChIKey of 4-chloro-2-(2,4-dimethylphenyl)quinazoline?
The InChIKey is NGIIJIRBIRQFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2/c1-10-7-8-12(11(2)9-10)16-18-14-6-4-3-5-13(14)15(17)19-16/h3-9H,1-2H3.
What are the key properties of 4-chloro-2-(2,4-dimethylphenyl)quinazoline?
4-chloro-2-(2,4-dimethylphenyl)quinazoline has a molecular weight of 268.75 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,4-dimethylphenyl)quinazoline is sourced from PubChem (CID 29293283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).