4-chloro-6-ethyl-2-(2-fluoro-3-methylphenyl)quinazoline

C17H14ClFN2 — CID 114590671

IUPAC4-chloro-6-ethyl-2-(2-fluoro-3-methylphenyl)quinazoline
SMILESCCc1ccc2nc(-c3cccc(C)c3F)nc(Cl)c2c1
InChIInChI=1S/C17H14ClFN2/c1-3-11-7-8-14-13(9-11)16(18)21-17(20-14)12-6-4-5-10(2)15(12)19/h4-9H,3H2,1-2H3
InChIKeyKTZPEBMPGXOEJH-UHFFFAOYSA-N
MW300.76 g/mol
LogP4.96
Rot. Bonds2

About 4-chloro-6-ethyl-2-(2-fluoro-3-methylphenyl)quinazoline

4-chloro-6-ethyl-2-(2-fluoro-3-methylphenyl)quinazoline (PubChem CID 114590671) has the molecular formula C17H14ClFN2 and a molecular weight of 300.76 g/mol. Its IUPAC name is 4-chloro-6-ethyl-2-(2-fluoro-3-methylphenyl)quinazoline.

Molecular Properties

Compound Name4-chloro-6-ethyl-2-(2-fluoro-3-methylphenyl)quinazoline
PubChem CID114590671
Molecular FormulaC17H14ClFN2
Molecular Weight300.76 g/mol
Exact Mass300.08
IUPAC Name4-chloro-6-ethyl-2-(2-fluoro-3-methylphenyl)quinazoline
SMILESCCc1ccc2nc(-c3cccc(C)c3F)nc(Cl)c2c1
InChIInChI=1S/C17H14ClFN2/c1-3-11-7-8-14-13(9-11)16(18)21-17(20-14)12-6-4-5-10(2)15(12)19/h4-9H,3H2,1-2H3
InChIKeyKTZPEBMPGXOEJH-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

6-bromo-4-chloro-7-fluoro-2-(2-fluoro-3-methylphenyl)quinazoline
CID 114591270
4-chloro-2-(2-fluoro-3-methylphenyl)-5-methylquinazoline
CID 81481875
4-chloro-2-(2,3-dimethylphenyl)-6-methylquinazoline
CID 63496973
4-chloro-2-(2-chlorophenyl)-6-propylquinazoline
CID 114590720
4-chloro-2-(2,3-dimethylphenyl)-6-iodoquinazoline
CID 114589357
4-chloro-6-ethyl-2-(4-methoxyphenyl)quinazoline
CID 114590653
4-chloro-6-fluoro-2-(5-fluoro-2-methylphenyl)quinazoline
CID 63085513
4-chloro-7-fluoro-2-(2-methylphenyl)quinazoline
CID 63083992
4-chloro-5-methyl-2-(2,3,4-trifluorophenyl)quinazoline
CID 79757486
4-chloro-6-fluoro-2-(2-methoxyphenyl)quinazoline
CID 58683904
4-chloro-2-(2-chlorophenyl)-7-fluoro-6-methylquinazoline
CID 114591625
4-chloro-2-(2,3,4-trifluorophenyl)quinazoline
CID 79749850

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethyl-2-(2-fluoro-3-methylphenyl)quinazoline?
The IUPAC name of 4-chloro-6-ethyl-2-(2-fluoro-3-methylphenyl)quinazoline (CID 114590671) is 4-chloro-6-ethyl-2-(2-fluoro-3-methylphenyl)quinazoline.
What is the SMILES notation for 4-chloro-6-ethyl-2-(2-fluoro-3-methylphenyl)quinazoline?
The canonical SMILES for 4-chloro-6-ethyl-2-(2-fluoro-3-methylphenyl)quinazoline is CCc1ccc2nc(-c3cccc(C)c3F)nc(Cl)c2c1.
What is the InChIKey of 4-chloro-6-ethyl-2-(2-fluoro-3-methylphenyl)quinazoline?
The InChIKey is KTZPEBMPGXOEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2/c1-3-11-7-8-14-13(9-11)16(18)21-17(20-14)12-6-4-5-10(2)15(12)19/h4-9H,3H2,1-2H3.
What are the key properties of 4-chloro-6-ethyl-2-(2-fluoro-3-methylphenyl)quinazoline?
4-chloro-6-ethyl-2-(2-fluoro-3-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-6-ethyl-2-(2-fluoro-3-methylphenyl)quinazoline is sourced from PubChem (CID 114590671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).