2,8-dichloro-6-(3,5-dimethoxyphenyl)quinazoline

C16H12Cl2N2O2 — CID 118036174

IUPAC2,8-dichloro-6-(3,5-dimethoxyphenyl)quinazoline
SMILESCOc1cc(OC)cc(-c2cc(Cl)c3nc(Cl)ncc3c2)c1
InChIInChI=1S/C16H12Cl2N2O2/c1-21-12-4-10(5-13(7-12)22-2)9-3-11-8-19-16(18)20-15(11)14(17)6-9/h3-8H,1-2H3
InChIKeyYTWAAIODJPGWPK-UHFFFAOYSA-N
MW335.19 g/mol
LogP4.62
Rot. Bonds3

About 2,8-dichloro-6-(3,5-dimethoxyphenyl)quinazoline

2,8-dichloro-6-(3,5-dimethoxyphenyl)quinazoline (PubChem CID 118036174) has the molecular formula C16H12Cl2N2O2 and a molecular weight of 335.19 g/mol. Its IUPAC name is 2,8-dichloro-6-(3,5-dimethoxyphenyl)quinazoline.

Molecular Properties

Compound Name2,8-dichloro-6-(3,5-dimethoxyphenyl)quinazoline
PubChem CID118036174
Molecular FormulaC16H12Cl2N2O2
Molecular Weight335.19 g/mol
Exact Mass334.03
IUPAC Name2,8-dichloro-6-(3,5-dimethoxyphenyl)quinazoline
SMILESCOc1cc(OC)cc(-c2cc(Cl)c3nc(Cl)ncc3c2)c1
InChIInChI=1S/C16H12Cl2N2O2/c1-21-12-4-10(5-13(7-12)22-2)9-3-11-8-19-16(18)20-15(11)14(17)6-9/h3-8H,1-2H3
InChIKeyYTWAAIODJPGWPK-UHFFFAOYSA-N
XLogP4.62
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-4-(3-methoxy-5-phenylphenyl)pyrimidine
CID 171627180
6-(3,5-dimethoxyphenyl)-8-fluoro-2-methylquinazoline
CID 123452237
6-bromo-2-chloroquinazoline;2-chloro-6-(3,5-dimethoxyphenyl)quinazoline;(3,5-dimethoxyphenyl)boronic acid
CID 159164032
2-chloro-7-methoxyquinazoline
CID 55251455
2,4-dichloro-5-(4-methoxyphenyl)pyrimidine
CID 19735441
2,4-dichloro-6-(3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidine
CID 135181348
5-bromo-2-chloro-N-(3,5-dimethoxyphenyl)pyrimidin-4-amine
CID 79075751
2,5-dichloro-4-(4-methoxyphenoxy)pyrimidine
CID 58247423
1-[4-(3,5-dimethoxyphenyl)phenyl]-3,5-dimethoxybenzene
CID 139197183
7-chloro-3-(3,5-dimethoxyphenyl)-1-methyl-2,6-naphthyridine
CID 142754785
7-chloro-3-(3,5-dimethoxyphenyl)-2-methyl-2,6-naphthyridin-1-one
CID 135180205
4-chloro-6-(3,5-dimethoxyphenyl)-1,3,5-triazin-2-amine
CID 83240805

Frequently Asked Questions

What is the IUPAC name of 2,8-dichloro-6-(3,5-dimethoxyphenyl)quinazoline?
The IUPAC name of 2,8-dichloro-6-(3,5-dimethoxyphenyl)quinazoline (CID 118036174) is 2,8-dichloro-6-(3,5-dimethoxyphenyl)quinazoline.
What is the SMILES notation for 2,8-dichloro-6-(3,5-dimethoxyphenyl)quinazoline?
The canonical SMILES for 2,8-dichloro-6-(3,5-dimethoxyphenyl)quinazoline is COc1cc(OC)cc(-c2cc(Cl)c3nc(Cl)ncc3c2)c1.
What is the InChIKey of 2,8-dichloro-6-(3,5-dimethoxyphenyl)quinazoline?
The InChIKey is YTWAAIODJPGWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O2/c1-21-12-4-10(5-13(7-12)22-2)9-3-11-8-19-16(18)20-15(11)14(17)6-9/h3-8H,1-2H3.
What are the key properties of 2,8-dichloro-6-(3,5-dimethoxyphenyl)quinazoline?
2,8-dichloro-6-(3,5-dimethoxyphenyl)quinazoline has a molecular weight of 335.19 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dichloro-6-(3,5-dimethoxyphenyl)quinazoline is sourced from PubChem (CID 118036174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).