2,4-dichloro-6-fluoro-7-methylquinazoline

C9H5Cl2FN2 — CID 167510683

IUPAC2,4-dichloro-6-fluoro-7-methylquinazoline
SMILESCc1cc2nc(Cl)nc(Cl)c2cc1F
InChIInChI=1S/C9H5Cl2FN2/c1-4-2-7-5(3-6(4)12)8(10)14-9(11)13-7/h2-3H,1H3
InChIKeyWWDZNUTUWLDNKJ-UHFFFAOYSA-N
MW231.06 g/mol
LogP3.38
Rot. Bonds

About 2,4-dichloro-6-fluoro-7-methylquinazoline

2,4-dichloro-6-fluoro-7-methylquinazoline (PubChem CID 167510683) has the molecular formula C9H5Cl2FN2 and a molecular weight of 231.06 g/mol. Its IUPAC name is 2,4-dichloro-6-fluoro-7-methylquinazoline.

Molecular Properties

Compound Name2,4-dichloro-6-fluoro-7-methylquinazoline
PubChem CID167510683
Molecular FormulaC9H5Cl2FN2
Molecular Weight231.06 g/mol
Exact Mass229.98
IUPAC Name2,4-dichloro-6-fluoro-7-methylquinazoline
SMILESCc1cc2nc(Cl)nc(Cl)c2cc1F
InChIInChI=1S/C9H5Cl2FN2/c1-4-2-7-5(3-6(4)12)8(10)14-9(11)13-7/h2-3H,1H3
InChIKeyWWDZNUTUWLDNKJ-UHFFFAOYSA-N
XLogP3.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.06
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(2-chlorophenyl)-7-fluoro-6-methylquinazoline
CID 114591625
4-chloro-2-(2,6-difluorophenyl)-7-fluoro-6-methylquinazoline
CID 114591658
4-chloro-7-fluoro-6-methyl-2-phenylquinazoline
CID 114591614
6-bromo-2,4,7-trichloroquinazoline
CID 45379709
4-chloro-7-fluoro-2-(3-fluoro-5-methylphenyl)-6-methylquinazoline
CID 114591652
2,4,7-trichloro-6-fluoropyrido[2,3-d]pyrimidine
CID 165124012
2-ethyl-6-fluoro-3,4,7-trimethylquinoline
CID 165443842
7-bromo-2,4-dichloro-6-methoxyquinazoline
CID 155682427
2,4-dichloro-7-(1,1-difluoroethyl)quinazoline
CID 155368683
2-chloro-3,5,6,7-tetramethylquinoline
CID 146013311
4-chloro-3-ethyl-7-fluoro-2,6-dimethylquinoline
CID 103996076
4-chloro-6-fluoro-2-(3-fluoro-4-methylphenyl)quinazoline
CID 63084490

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-fluoro-7-methylquinazoline?
The IUPAC name of 2,4-dichloro-6-fluoro-7-methylquinazoline (CID 167510683) is 2,4-dichloro-6-fluoro-7-methylquinazoline.
What is the SMILES notation for 2,4-dichloro-6-fluoro-7-methylquinazoline?
The canonical SMILES for 2,4-dichloro-6-fluoro-7-methylquinazoline is Cc1cc2nc(Cl)nc(Cl)c2cc1F.
What is the InChIKey of 2,4-dichloro-6-fluoro-7-methylquinazoline?
The InChIKey is WWDZNUTUWLDNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2FN2/c1-4-2-7-5(3-6(4)12)8(10)14-9(11)13-7/h2-3H,1H3.
What are the key properties of 2,4-dichloro-6-fluoro-7-methylquinazoline?
2,4-dichloro-6-fluoro-7-methylquinazoline has a molecular weight of 231.06 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-fluoro-7-methylquinazoline is sourced from PubChem (CID 167510683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).