4-chloro-2-(2-methoxyphenyl)-8-methylquinazoline

C16H13ClN2O — CID 63086198

IUPAC4-chloro-2-(2-methoxyphenyl)-8-methylquinazoline
SMILESCOc1ccccc1-c1nc(Cl)c2cccc(C)c2n1
InChIInChI=1S/C16H13ClN2O/c1-10-6-5-8-12-14(10)18-16(19-15(12)17)11-7-3-4-9-13(11)20-2/h3-9H,1-2H3
InChIKeyBTKYPEYBDKGMBG-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.27
Rot. Bonds2

About 4-chloro-2-(2-methoxyphenyl)-8-methylquinazoline

4-chloro-2-(2-methoxyphenyl)-8-methylquinazoline (PubChem CID 63086198) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 4-chloro-2-(2-methoxyphenyl)-8-methylquinazoline.

Molecular Properties

Compound Name4-chloro-2-(2-methoxyphenyl)-8-methylquinazoline
PubChem CID63086198
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name4-chloro-2-(2-methoxyphenyl)-8-methylquinazoline
SMILESCOc1ccccc1-c1nc(Cl)c2cccc(C)c2n1
InChIInChI=1S/C16H13ClN2O/c1-10-6-5-8-12-14(10)18-16(19-15(12)17)11-7-3-4-9-13(11)20-2/h3-9H,1-2H3
InChIKeyBTKYPEYBDKGMBG-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-methoxyphenyl)-8-methylquinazoline?
The IUPAC name of 4-chloro-2-(2-methoxyphenyl)-8-methylquinazoline (CID 63086198) is 4-chloro-2-(2-methoxyphenyl)-8-methylquinazoline.
What is the SMILES notation for 4-chloro-2-(2-methoxyphenyl)-8-methylquinazoline?
The canonical SMILES for 4-chloro-2-(2-methoxyphenyl)-8-methylquinazoline is COc1ccccc1-c1nc(Cl)c2cccc(C)c2n1.
What is the InChIKey of 4-chloro-2-(2-methoxyphenyl)-8-methylquinazoline?
The InChIKey is BTKYPEYBDKGMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-10-6-5-8-12-14(10)18-16(19-15(12)17)11-7-3-4-9-13(11)20-2/h3-9H,1-2H3.
What are the key properties of 4-chloro-2-(2-methoxyphenyl)-8-methylquinazoline?
4-chloro-2-(2-methoxyphenyl)-8-methylquinazoline 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-methoxyphenyl)-8-methylquinazoline is sourced from PubChem (CID 63086198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).