4,7-dichloro-2-(4-ethylphenyl)-8-methylquinazoline

C17H14Cl2N2 — CID 114589548

IUPAC4,7-dichloro-2-(4-ethylphenyl)-8-methylquinazoline
SMILESCCc1ccc(-c2nc(Cl)c3ccc(Cl)c(C)c3n2)cc1
InChIInChI=1S/C17H14Cl2N2/c1-3-11-4-6-12(7-5-11)17-20-15-10(2)14(18)9-8-13(15)16(19)21-17/h4-9H,3H2,1-2H3
InChIKeyBAEXCYDBPQOCAF-UHFFFAOYSA-N
MW317.22 g/mol
LogP5.47
Rot. Bonds2

About 4,7-dichloro-2-(4-ethylphenyl)-8-methylquinazoline

4,7-dichloro-2-(4-ethylphenyl)-8-methylquinazoline (PubChem CID 114589548) has the molecular formula C17H14Cl2N2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 4,7-dichloro-2-(4-ethylphenyl)-8-methylquinazoline.

Molecular Properties

Compound Name4,7-dichloro-2-(4-ethylphenyl)-8-methylquinazoline
PubChem CID114589548
Molecular FormulaC17H14Cl2N2
Molecular Weight317.22 g/mol
Exact Mass316.05
IUPAC Name4,7-dichloro-2-(4-ethylphenyl)-8-methylquinazoline
SMILESCCc1ccc(-c2nc(Cl)c3ccc(Cl)c(C)c3n2)cc1
InChIInChI=1S/C17H14Cl2N2/c1-3-11-4-6-12(7-5-11)17-20-15-10(2)14(18)9-8-13(15)16(19)21-17/h4-9H,3H2,1-2H3
InChIKeyBAEXCYDBPQOCAF-UHFFFAOYSA-N
XLogP5.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.22
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,7-dichloro-8-methyl-2-(4-methylsulfanylphenyl)quinazoline
CID 114589554
4-chloro-2-(4-ethylphenyl)-6,8-dimethylquinazoline
CID 114590394
4,7-dichloro-2-(3,5-difluorophenyl)-8-methylquinazoline
CID 114589521
4,5,6-trichloro-2-(4-ethylphenyl)pyrimidine
CID 87337394
4,6-dichloro-5-ethyl-2-(4-ethylphenyl)pyrimidine
CID 63611306
4,6-dichloro-2-(4-ethylphenyl)-5-fluoropyrimidine
CID 80550252
4-chloro-7-fluoro-2-(4-methoxyphenyl)-8-methylquinazoline
CID 114591446
7-bromo-4-chloro-2-(4-methoxyphenyl)-8-methylquinazoline
CID 114591533
4,7-dichloro-2-(2-fluoro-4-methylphenyl)-8-methylquinazoline
CID 114589505
4,6-dichloro-5-cyclopentyl-2-(4-ethylphenyl)pyrimidine
CID 115926474
4-chloro-6-ethyl-2-(4-methoxyphenyl)quinazoline
CID 114590653
5-chloro-3-(4-ethylphenyl)-1,2,4-oxadiazole
CID 60984935

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-2-(4-ethylphenyl)-8-methylquinazoline?
The IUPAC name of 4,7-dichloro-2-(4-ethylphenyl)-8-methylquinazoline (CID 114589548) is 4,7-dichloro-2-(4-ethylphenyl)-8-methylquinazoline.
What is the SMILES notation for 4,7-dichloro-2-(4-ethylphenyl)-8-methylquinazoline?
The canonical SMILES for 4,7-dichloro-2-(4-ethylphenyl)-8-methylquinazoline is CCc1ccc(-c2nc(Cl)c3ccc(Cl)c(C)c3n2)cc1.
What is the InChIKey of 4,7-dichloro-2-(4-ethylphenyl)-8-methylquinazoline?
The InChIKey is BAEXCYDBPQOCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2/c1-3-11-4-6-12(7-5-11)17-20-15-10(2)14(18)9-8-13(15)16(19)21-17/h4-9H,3H2,1-2H3.
What are the key properties of 4,7-dichloro-2-(4-ethylphenyl)-8-methylquinazoline?
4,7-dichloro-2-(4-ethylphenyl)-8-methylquinazoline has a molecular weight of 317.22 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-2-(4-ethylphenyl)-8-methylquinazoline is sourced from PubChem (CID 114589548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).