4-chloro-2-(2-methoxy-5-methylphenyl)quinazoline

C16H13ClN2O — CID 62504381

IUPAC4-chloro-2-(2-methoxy-5-methylphenyl)quinazoline
SMILESCOc1ccc(C)cc1-c1nc(Cl)c2ccccc2n1
InChIInChI=1S/C16H13ClN2O/c1-10-7-8-14(20-2)12(9-10)16-18-13-6-4-3-5-11(13)15(17)19-16/h3-9H,1-2H3
InChIKeyFACYRLHPUFMDLJ-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.27
Rot. Bonds2

About 4-chloro-2-(2-methoxy-5-methylphenyl)quinazoline

4-chloro-2-(2-methoxy-5-methylphenyl)quinazoline (PubChem CID 62504381) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 4-chloro-2-(2-methoxy-5-methylphenyl)quinazoline.

Molecular Properties

Compound Name4-chloro-2-(2-methoxy-5-methylphenyl)quinazoline
PubChem CID62504381
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name4-chloro-2-(2-methoxy-5-methylphenyl)quinazoline
SMILESCOc1ccc(C)cc1-c1nc(Cl)c2ccccc2n1
InChIInChI=1S/C16H13ClN2O/c1-10-7-8-14(20-2)12(9-10)16-18-13-6-4-3-5-11(13)15(17)19-16/h3-9H,1-2H3
InChIKeyFACYRLHPUFMDLJ-UHFFFAOYSA-N
XLogP4.27
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methoxy-5-methylphenyl)quinazoline?
The IUPAC name of 4-chloro-2-(2-methoxy-5-methylphenyl)quinazoline (CID 62504381) is 4-chloro-2-(2-methoxy-5-methylphenyl)quinazoline.
What is the SMILES notation for 4-chloro-2-(2-methoxy-5-methylphenyl)quinazoline?
The canonical SMILES for 4-chloro-2-(2-methoxy-5-methylphenyl)quinazoline is COc1ccc(C)cc1-c1nc(Cl)c2ccccc2n1.
What is the InChIKey of 4-chloro-2-(2-methoxy-5-methylphenyl)quinazoline?
The InChIKey is FACYRLHPUFMDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-10-7-8-14(20-2)12(9-10)16-18-13-6-4-3-5-11(13)15(17)19-16/h3-9H,1-2H3.
What are the key properties of 4-chloro-2-(2-methoxy-5-methylphenyl)quinazoline?
4-chloro-2-(2-methoxy-5-methylphenyl)quinazoline has a molecular weight of 284.75 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methoxy-5-methylphenyl)quinazoline is sourced from PubChem (CID 62504381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).