4-chloro-2-(2,4-dimethylphenyl)-8-ethylquinazoline

C18H17ClN2 — CID 114591032

IUPAC4-chloro-2-(2,4-dimethylphenyl)-8-ethylquinazoline
SMILESCCc1cccc2c(Cl)nc(-c3ccc(C)cc3C)nc12
InChIInChI=1S/C18H17ClN2/c1-4-13-6-5-7-15-16(13)20-18(21-17(15)19)14-9-8-11(2)10-12(14)3/h5-10H,4H2,1-3H3
InChIKeySUUUMMFNSWNFKL-UHFFFAOYSA-N
MW296.80 g/mol
LogP5.13
Rot. Bonds2

About 4-chloro-2-(2,4-dimethylphenyl)-8-ethylquinazoline

4-chloro-2-(2,4-dimethylphenyl)-8-ethylquinazoline (PubChem CID 114591032) has the molecular formula C18H17ClN2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 4-chloro-2-(2,4-dimethylphenyl)-8-ethylquinazoline.

Molecular Properties

Compound Name4-chloro-2-(2,4-dimethylphenyl)-8-ethylquinazoline
PubChem CID114591032
Molecular FormulaC18H17ClN2
Molecular Weight296.80 g/mol
Exact Mass296.11
IUPAC Name4-chloro-2-(2,4-dimethylphenyl)-8-ethylquinazoline
SMILESCCc1cccc2c(Cl)nc(-c3ccc(C)cc3C)nc12
InChIInChI=1S/C18H17ClN2/c1-4-13-6-5-7-15-16(13)20-18(21-17(15)19)14-9-8-11(2)10-12(14)3/h5-10H,4H2,1-3H3
InChIKeySUUUMMFNSWNFKL-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-8-ethyl-2-(4-fluoro-2-methylphenyl)quinazoline
CID 114591044
4-chloro-2-(2-ethylphenyl)-6,8-dimethylquinazoline
CID 114590401
4-chloro-2-(2-chloro-4-methylphenyl)-8-methylquinazoline
CID 106860907
4-chloro-2-(2,4-dimethylphenyl)quinazoline
CID 29293283
8-bromo-4-chloro-2-(2,4-dimethylphenyl)-6-methylquinazoline
CID 114589664
6,8-dibromo-4-chloro-2-(2,4-dimethylphenyl)quinazoline
CID 63497676
5-bromo-4-chloro-2-(2,4-dimethylphenyl)-6-ethylpyrimidine
CID 66313232
4-chloro-2-(4-fluoro-2-methylphenyl)-6,8-dimethylquinazoline
CID 114590385
4-chloro-8-ethyl-2-(3-methoxythiophen-2-yl)quinazoline
CID 114591036
4-chloro-2-(3-ethylthiophen-2-yl)-6,8-dimethylquinazoline
CID 114590391
4-chloro-2-(2,4-dimethylphenyl)-5-fluoroquinazoline
CID 114590238
4-chloro-2-(2-chloro-4-methylphenyl)quinazoline
CID 106860906

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,4-dimethylphenyl)-8-ethylquinazoline?
The IUPAC name of 4-chloro-2-(2,4-dimethylphenyl)-8-ethylquinazoline (CID 114591032) is 4-chloro-2-(2,4-dimethylphenyl)-8-ethylquinazoline.
What is the SMILES notation for 4-chloro-2-(2,4-dimethylphenyl)-8-ethylquinazoline?
The canonical SMILES for 4-chloro-2-(2,4-dimethylphenyl)-8-ethylquinazoline is CCc1cccc2c(Cl)nc(-c3ccc(C)cc3C)nc12.
What is the InChIKey of 4-chloro-2-(2,4-dimethylphenyl)-8-ethylquinazoline?
The InChIKey is SUUUMMFNSWNFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2/c1-4-13-6-5-7-15-16(13)20-18(21-17(15)19)14-9-8-11(2)10-12(14)3/h5-10H,4H2,1-3H3.
What are the key properties of 4-chloro-2-(2,4-dimethylphenyl)-8-ethylquinazoline?
4-chloro-2-(2,4-dimethylphenyl)-8-ethylquinazoline 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-(2,4-dimethylphenyl)-8-ethylquinazoline is sourced from PubChem (CID 114591032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).