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

C18H17ClN2 — CID 114590401

IUPAC4-chloro-2-(2-ethylphenyl)-6,8-dimethylquinazoline
SMILESCCc1ccccc1-c1nc(Cl)c2cc(C)cc(C)c2n1
InChIInChI=1S/C18H17ClN2/c1-4-13-7-5-6-8-14(13)18-20-16-12(3)9-11(2)10-15(16)17(19)21-18/h5-10H,4H2,1-3H3
InChIKeyAJNBKUBHWIDPQG-UHFFFAOYSA-N
MW296.80 g/mol
LogP5.13
Rot. Bonds2

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

4-chloro-2-(2-ethylphenyl)-6,8-dimethylquinazoline (PubChem CID 114590401) has the molecular formula C18H17ClN2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 4-chloro-2-(2-ethylphenyl)-6,8-dimethylquinazoline.

Molecular Properties

Compound Name4-chloro-2-(2-ethylphenyl)-6,8-dimethylquinazoline
PubChem CID114590401
Molecular FormulaC18H17ClN2
Molecular Weight296.80 g/mol
Exact Mass296.11
IUPAC Name4-chloro-2-(2-ethylphenyl)-6,8-dimethylquinazoline
SMILESCCc1ccccc1-c1nc(Cl)c2cc(C)cc(C)c2n1
InChIInChI=1S/C18H17ClN2/c1-4-13-7-5-6-8-14(13)18-20-16-12(3)9-11(2)10-15(16)17(19)21-18/h5-10H,4H2,1-3H3
InChIKeyAJNBKUBHWIDPQG-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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-ethylphenyl)-6,8-dimethylquinazoline?
The IUPAC name of 4-chloro-2-(2-ethylphenyl)-6,8-dimethylquinazoline (CID 114590401) is 4-chloro-2-(2-ethylphenyl)-6,8-dimethylquinazoline.
What is the SMILES notation for 4-chloro-2-(2-ethylphenyl)-6,8-dimethylquinazoline?
The canonical SMILES for 4-chloro-2-(2-ethylphenyl)-6,8-dimethylquinazoline is CCc1ccccc1-c1nc(Cl)c2cc(C)cc(C)c2n1.
What is the InChIKey of 4-chloro-2-(2-ethylphenyl)-6,8-dimethylquinazoline?
The InChIKey is AJNBKUBHWIDPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2/c1-4-13-7-5-6-8-14(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-(2-ethylphenyl)-6,8-dimethylquinazoline?
4-chloro-2-(2-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-(2-ethylphenyl)-6,8-dimethylquinazoline is sourced from PubChem (CID 114590401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).