4-chloro-2-(4-chloro-2-methoxyphenyl)-6-methylquinazoline

C16H12Cl2N2O — CID 63085175

IUPAC4-chloro-2-(4-chloro-2-methoxyphenyl)-6-methylquinazoline
SMILESCOc1cc(Cl)ccc1-c1nc(Cl)c2cc(C)ccc2n1
InChIInChI=1S/C16H12Cl2N2O/c1-9-3-6-13-12(7-9)15(18)20-16(19-13)11-5-4-10(17)8-14(11)21-2/h3-8H,1-2H3
InChIKeyHNVPRHBHDQXKJO-UHFFFAOYSA-N
MW319.19 g/mol
LogP4.92
Rot. Bonds2

About 4-chloro-2-(4-chloro-2-methoxyphenyl)-6-methylquinazoline

4-chloro-2-(4-chloro-2-methoxyphenyl)-6-methylquinazoline (PubChem CID 63085175) has the molecular formula C16H12Cl2N2O and a molecular weight of 319.19 g/mol. Its IUPAC name is 4-chloro-2-(4-chloro-2-methoxyphenyl)-6-methylquinazoline.

Molecular Properties

Compound Name4-chloro-2-(4-chloro-2-methoxyphenyl)-6-methylquinazoline
PubChem CID63085175
Molecular FormulaC16H12Cl2N2O
Molecular Weight319.19 g/mol
Exact Mass318.03
IUPAC Name4-chloro-2-(4-chloro-2-methoxyphenyl)-6-methylquinazoline
SMILESCOc1cc(Cl)ccc1-c1nc(Cl)c2cc(C)ccc2n1
InChIInChI=1S/C16H12Cl2N2O/c1-9-3-6-13-12(7-9)15(18)20-16(19-13)11-5-4-10(17)8-14(11)21-2/h3-8H,1-2H3
InChIKeyHNVPRHBHDQXKJO-UHFFFAOYSA-N
XLogP4.92
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-chloro-2-methoxyphenyl)-6-methylquinazoline?
The IUPAC name of 4-chloro-2-(4-chloro-2-methoxyphenyl)-6-methylquinazoline (CID 63085175) is 4-chloro-2-(4-chloro-2-methoxyphenyl)-6-methylquinazoline.
What is the SMILES notation for 4-chloro-2-(4-chloro-2-methoxyphenyl)-6-methylquinazoline?
The canonical SMILES for 4-chloro-2-(4-chloro-2-methoxyphenyl)-6-methylquinazoline is COc1cc(Cl)ccc1-c1nc(Cl)c2cc(C)ccc2n1.
What is the InChIKey of 4-chloro-2-(4-chloro-2-methoxyphenyl)-6-methylquinazoline?
The InChIKey is HNVPRHBHDQXKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O/c1-9-3-6-13-12(7-9)15(18)20-16(19-13)11-5-4-10(17)8-14(11)21-2/h3-8H,1-2H3.
What are the key properties of 4-chloro-2-(4-chloro-2-methoxyphenyl)-6-methylquinazoline?
4-chloro-2-(4-chloro-2-methoxyphenyl)-6-methylquinazoline has a molecular weight of 319.19 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-chloro-2-methoxyphenyl)-6-methylquinazoline is sourced from PubChem (CID 63085175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).