4-chloro-8-ethyl-2-(4-fluoro-2-methylphenyl)quinazoline

C17H14ClFN2 — CID 114591044

IUPAC4-chloro-8-ethyl-2-(4-fluoro-2-methylphenyl)quinazoline
SMILESCCc1cccc2c(Cl)nc(-c3ccc(F)cc3C)nc12
InChIInChI=1S/C17H14ClFN2/c1-3-11-5-4-6-14-15(11)20-17(21-16(14)18)13-8-7-12(19)9-10(13)2/h4-9H,3H2,1-2H3
InChIKeyKZUNKWDQLWULSJ-UHFFFAOYSA-N
MW300.76 g/mol
LogP4.96
Rot. Bonds2

About 4-chloro-8-ethyl-2-(4-fluoro-2-methylphenyl)quinazoline

4-chloro-8-ethyl-2-(4-fluoro-2-methylphenyl)quinazoline (PubChem CID 114591044) has the molecular formula C17H14ClFN2 and a molecular weight of 300.76 g/mol. Its IUPAC name is 4-chloro-8-ethyl-2-(4-fluoro-2-methylphenyl)quinazoline.

Molecular Properties

Compound Name4-chloro-8-ethyl-2-(4-fluoro-2-methylphenyl)quinazoline
PubChem CID114591044
Molecular FormulaC17H14ClFN2
Molecular Weight300.76 g/mol
Exact Mass300.08
IUPAC Name4-chloro-8-ethyl-2-(4-fluoro-2-methylphenyl)quinazoline
SMILESCCc1cccc2c(Cl)nc(-c3ccc(F)cc3C)nc12
InChIInChI=1S/C17H14ClFN2/c1-3-11-5-4-6-14-15(11)20-17(21-16(14)18)13-8-7-12(19)9-10(13)2/h4-9H,3H2,1-2H3
InChIKeyKZUNKWDQLWULSJ-UHFFFAOYSA-N
XLogP4.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(2,4-dimethylphenyl)-8-ethylquinazoline
CID 114591032
4-chloro-2-(4-fluoro-2-methylphenyl)-6,8-dimethylquinazoline
CID 114590385
4-chloro-2-(5-fluoro-2-methylphenyl)-8-methylquinazoline
CID 63084485
4-chloro-2-(2,4-difluorophenyl)-8-fluoroquinazoline
CID 114590403
4-chloro-2-(2-ethylphenyl)-6,8-dimethylquinazoline
CID 114590401
8-bromo-4-chloro-2-(2,4-difluorophenyl)quinazoline
CID 114590744
4-chloro-2-(2-chloro-4-methylphenyl)-8-methylquinazoline
CID 106860907
4-chloro-7-fluoro-2-(2-methylphenyl)quinazoline
CID 63083992
4-chloro-2-(2-chloro-3-fluorophenyl)-8-methylquinazoline
CID 81453930
4-chloro-8-ethyl-2-(3-methoxythiophen-2-yl)quinazoline
CID 114591036
4-chloro-2-(2-methoxyphenyl)-8-methylquinazoline
CID 63086198
4-chloro-2-(2,6-difluorophenyl)-8-methylquinazoline
CID 63085684

Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-ethyl-2-(4-fluoro-2-methylphenyl)quinazoline?
The IUPAC name of 4-chloro-8-ethyl-2-(4-fluoro-2-methylphenyl)quinazoline (CID 114591044) is 4-chloro-8-ethyl-2-(4-fluoro-2-methylphenyl)quinazoline.
What is the SMILES notation for 4-chloro-8-ethyl-2-(4-fluoro-2-methylphenyl)quinazoline?
The canonical SMILES for 4-chloro-8-ethyl-2-(4-fluoro-2-methylphenyl)quinazoline is CCc1cccc2c(Cl)nc(-c3ccc(F)cc3C)nc12.
What is the InChIKey of 4-chloro-8-ethyl-2-(4-fluoro-2-methylphenyl)quinazoline?
The InChIKey is KZUNKWDQLWULSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2/c1-3-11-5-4-6-14-15(11)20-17(21-16(14)18)13-8-7-12(19)9-10(13)2/h4-9H,3H2,1-2H3.
What are the key properties of 4-chloro-8-ethyl-2-(4-fluoro-2-methylphenyl)quinazoline?
4-chloro-8-ethyl-2-(4-fluoro-2-methylphenyl)quinazoline has a molecular weight of 300.76 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-ethyl-2-(4-fluoro-2-methylphenyl)quinazoline is sourced from PubChem (CID 114591044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).