4-chloro-2-(3-fluoro-4-methylphenyl)-6,8-dimethylquinazoline

C17H14ClFN2 — CID 114590368

IUPAC4-chloro-2-(3-fluoro-4-methylphenyl)-6,8-dimethylquinazoline
SMILESCc1cc(C)c2nc(-c3ccc(C)c(F)c3)nc(Cl)c2c1
InChIInChI=1S/C17H14ClFN2/c1-9-6-11(3)15-13(7-9)16(18)21-17(20-15)12-5-4-10(2)14(19)8-12/h4-8H,1-3H3
InChIKeyNKGIOJWUWWRXHZ-UHFFFAOYSA-N
MW300.76 g/mol
LogP5.01
Rot. Bonds1

About 4-chloro-2-(3-fluoro-4-methylphenyl)-6,8-dimethylquinazoline

4-chloro-2-(3-fluoro-4-methylphenyl)-6,8-dimethylquinazoline (PubChem CID 114590368) has the molecular formula C17H14ClFN2 and a molecular weight of 300.76 g/mol. Its IUPAC name is 4-chloro-2-(3-fluoro-4-methylphenyl)-6,8-dimethylquinazoline.

Molecular Properties

Compound Name4-chloro-2-(3-fluoro-4-methylphenyl)-6,8-dimethylquinazoline
PubChem CID114590368
Molecular FormulaC17H14ClFN2
Molecular Weight300.76 g/mol
Exact Mass300.08
IUPAC Name4-chloro-2-(3-fluoro-4-methylphenyl)-6,8-dimethylquinazoline
SMILESCc1cc(C)c2nc(-c3ccc(C)c(F)c3)nc(Cl)c2c1
InChIInChI=1S/C17H14ClFN2/c1-9-6-11(3)15-13(7-9)16(18)21-17(20-15)12-5-4-10(2)14(19)8-12/h4-8H,1-3H3
InChIKeyNKGIOJWUWWRXHZ-UHFFFAOYSA-N
XLogP5.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.76
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(4-ethylphenyl)-6,8-dimethylquinazoline
CID 114590394
4,8-dichloro-2-(3-chloro-4-methylphenyl)-6-methylquinazoline
CID 114590874
4-chloro-6-fluoro-2-(3-fluoro-4-methylphenyl)quinazoline
CID 63084490
4-chloro-2-(4-fluoro-2-methylphenyl)-6,8-dimethylquinazoline
CID 114590385
4,8-dichloro-2-(3-fluorophenyl)-6-methylquinazoline
CID 114590868
4,6,8-trichloro-2-(4-fluoro-3-methylphenyl)quinazoline
CID 63496972
4-chloro-2-(3-fluoro-4-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 61382076
4-chloro-2-(3-fluoro-4-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63405762
4-chloro-7-fluoro-8-methyl-2-(3-methylphenyl)quinazoline
CID 114591452
4-chloro-2-(2-ethylphenyl)-6,8-dimethylquinazoline
CID 114590401
4-chloro-2-(4-chloro-3-fluorophenyl)-5,7-dimethylquinazoline
CID 107999704
4-chloro-7-fluoro-2-(3-fluoro-5-methylphenyl)-6-methylquinazoline
CID 114591652

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-fluoro-4-methylphenyl)-6,8-dimethylquinazoline?
The IUPAC name of 4-chloro-2-(3-fluoro-4-methylphenyl)-6,8-dimethylquinazoline (CID 114590368) is 4-chloro-2-(3-fluoro-4-methylphenyl)-6,8-dimethylquinazoline.
What is the SMILES notation for 4-chloro-2-(3-fluoro-4-methylphenyl)-6,8-dimethylquinazoline?
The canonical SMILES for 4-chloro-2-(3-fluoro-4-methylphenyl)-6,8-dimethylquinazoline is Cc1cc(C)c2nc(-c3ccc(C)c(F)c3)nc(Cl)c2c1.
What is the InChIKey of 4-chloro-2-(3-fluoro-4-methylphenyl)-6,8-dimethylquinazoline?
The InChIKey is NKGIOJWUWWRXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2/c1-9-6-11(3)15-13(7-9)16(18)21-17(20-15)12-5-4-10(2)14(19)8-12/h4-8H,1-3H3.
What are the key properties of 4-chloro-2-(3-fluoro-4-methylphenyl)-6,8-dimethylquinazoline?
4-chloro-2-(3-fluoro-4-methylphenyl)-6,8-dimethylquinazoline has a molecular weight of 300.76 g/mol, XLogP of 5.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-fluoro-4-methylphenyl)-6,8-dimethylquinazoline is sourced from PubChem (CID 114590368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).