4-chloro-2-(4-ethylphenyl)-6,8-dimethylquinazoline

C18H17ClN2 — CID 114590394

IUPAC4-chloro-2-(4-ethylphenyl)-6,8-dimethylquinazoline
SMILESCCc1ccc(-c2nc(Cl)c3cc(C)cc(C)c3n2)cc1
InChIInChI=1S/C18H17ClN2/c1-4-13-5-7-14(8-6-13)18-20-16-12(3)9-11(2)10-15(16)17(19)21-18/h5-10H,4H2,1-3H3
InChIKeyMNBNOBVFKJFOLC-UHFFFAOYSA-N
MW296.80 g/mol
LogP5.13
Rot. Bonds2

About 4-chloro-2-(4-ethylphenyl)-6,8-dimethylquinazoline

4-chloro-2-(4-ethylphenyl)-6,8-dimethylquinazoline (PubChem CID 114590394) has the molecular formula C18H17ClN2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 4-chloro-2-(4-ethylphenyl)-6,8-dimethylquinazoline.

Molecular Properties

Compound Name4-chloro-2-(4-ethylphenyl)-6,8-dimethylquinazoline
PubChem CID114590394
Molecular FormulaC18H17ClN2
Molecular Weight296.80 g/mol
Exact Mass296.11
IUPAC Name4-chloro-2-(4-ethylphenyl)-6,8-dimethylquinazoline
SMILESCCc1ccc(-c2nc(Cl)c3cc(C)cc(C)c3n2)cc1
InChIInChI=1S/C18H17ClN2/c1-4-13-5-7-14(8-6-13)18-20-16-12(3)9-11(2)10-15(16)17(19)21-18/h5-10H,4H2,1-3H3
InChIKeyMNBNOBVFKJFOLC-UHFFFAOYSA-N
XLogP5.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.80
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(3-fluoro-4-methylphenyl)-6,8-dimethylquinazoline
CID 114590368
4-chloro-2-(2-ethylphenyl)-6,8-dimethylquinazoline
CID 114590401
4,7-dichloro-2-(4-ethylphenyl)-8-methylquinazoline
CID 114589548
4-chloro-2-(3-ethylthiophen-2-yl)-6,8-dimethylquinazoline
CID 114590391
4,5,6-trichloro-2-(4-ethylphenyl)pyrimidine
CID 87337394
4-chloro-2-(4-fluoro-2-methylphenyl)-6,8-dimethylquinazoline
CID 114590385
4,6-dichloro-5-ethyl-2-(4-ethylphenyl)pyrimidine
CID 63611306
4,8-dichloro-2-(3-chloro-4-methylphenyl)-6-methylquinazoline
CID 114590874
4,6-dichloro-2-(4-ethylphenyl)-5-fluoropyrimidine
CID 80550252
6-bromo-4-chloro-2-(4-methoxyphenyl)-8-methylquinazoline
CID 114591070
2-(4-ethylphenyl)-N,8-dimethylquinazolin-4-amine
CID 64981181
4,8-dichloro-2-(3-fluorophenyl)-6-methylquinazoline
CID 114590868

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-ethylphenyl)-6,8-dimethylquinazoline?
The IUPAC name of 4-chloro-2-(4-ethylphenyl)-6,8-dimethylquinazoline (CID 114590394) is 4-chloro-2-(4-ethylphenyl)-6,8-dimethylquinazoline.
What is the SMILES notation for 4-chloro-2-(4-ethylphenyl)-6,8-dimethylquinazoline?
The canonical SMILES for 4-chloro-2-(4-ethylphenyl)-6,8-dimethylquinazoline is CCc1ccc(-c2nc(Cl)c3cc(C)cc(C)c3n2)cc1.
What is the InChIKey of 4-chloro-2-(4-ethylphenyl)-6,8-dimethylquinazoline?
The InChIKey is MNBNOBVFKJFOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2/c1-4-13-5-7-14(8-6-13)18-20-16-12(3)9-11(2)10-15(16)17(19)21-18/h5-10H,4H2,1-3H3.
What are the key properties of 4-chloro-2-(4-ethylphenyl)-6,8-dimethylquinazoline?
4-chloro-2-(4-ethylphenyl)-6,8-dimethylquinazoline has a molecular weight of 296.80 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-ethylphenyl)-6,8-dimethylquinazoline is sourced from PubChem (CID 114590394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).