6-(3,5-dimethoxyphenyl)-8-fluoro-2-methylquinazoline

C17H15FN2O2 — CID 123452237

IUPAC6-(3,5-dimethoxyphenyl)-8-fluoro-2-methylquinazoline
SMILESCOc1cc(OC)cc(-c2cc(F)c3nc(C)ncc3c2)c1
InChIInChI=1S/C17H15FN2O2/c1-10-19-9-13-4-11(7-16(18)17(13)20-10)12-5-14(21-2)8-15(6-12)22-3/h4-9H,1-3H3
InChIKeyRSGIOIJTTWNMNO-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.76
Rot. Bonds3

About 6-(3,5-dimethoxyphenyl)-8-fluoro-2-methylquinazoline

6-(3,5-dimethoxyphenyl)-8-fluoro-2-methylquinazoline (PubChem CID 123452237) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 6-(3,5-dimethoxyphenyl)-8-fluoro-2-methylquinazoline.

Molecular Properties

Compound Name6-(3,5-dimethoxyphenyl)-8-fluoro-2-methylquinazoline
PubChem CID123452237
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name6-(3,5-dimethoxyphenyl)-8-fluoro-2-methylquinazoline
SMILESCOc1cc(OC)cc(-c2cc(F)c3nc(C)ncc3c2)c1
InChIInChI=1S/C17H15FN2O2/c1-10-19-9-13-4-11(7-16(18)17(13)20-10)12-5-14(21-2)8-15(6-12)22-3/h4-9H,1-3H3
InChIKeyRSGIOIJTTWNMNO-UHFFFAOYSA-N
XLogP3.76
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,8-dichloro-6-(3,5-dimethoxyphenyl)quinazoline
CID 118036174
8-methoxy-2,6-dimethylquinazoline
CID 143712441
5-(3,5-dimethoxyphenyl)-2-methylpyridine
CID 155135020
3-(3,5-dimethoxyphenyl)-6-fluoroisoquinoline
CID 25058376
6-methoxy-2-methylquinazoline
CID 54578216
7-fluoro-3-(3-fluoro-5-methoxyphenyl)quinoline
CID 157018506
1-[4-(3,5-dimethoxyphenyl)phenyl]-3,5-dimethoxybenzene
CID 139197183
7-chloro-3-(3,5-dimethoxyphenyl)-1-methyl-2,6-naphthyridine
CID 142754785
8-chloro-6-(2,6-difluoro-3,5-dimethoxyphenyl)-2-methylpyrido[3,4-d]pyrimidine;ethane
CID 142381459
3-fluoro-7-methoxyisoquinoline
CID 131700060
ethane;5-methoxy-2-methylpyrimidine
CID 143166828
4-chloro-5-(2,6-difluorophenyl)-6-(3,5-dimethoxyphenyl)-2-methylpyrimidine
CID 167474381

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethoxyphenyl)-8-fluoro-2-methylquinazoline?
The IUPAC name of 6-(3,5-dimethoxyphenyl)-8-fluoro-2-methylquinazoline (CID 123452237) is 6-(3,5-dimethoxyphenyl)-8-fluoro-2-methylquinazoline.
What is the SMILES notation for 6-(3,5-dimethoxyphenyl)-8-fluoro-2-methylquinazoline?
The canonical SMILES for 6-(3,5-dimethoxyphenyl)-8-fluoro-2-methylquinazoline is COc1cc(OC)cc(-c2cc(F)c3nc(C)ncc3c2)c1.
What is the InChIKey of 6-(3,5-dimethoxyphenyl)-8-fluoro-2-methylquinazoline?
The InChIKey is RSGIOIJTTWNMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-10-19-9-13-4-11(7-16(18)17(13)20-10)12-5-14(21-2)8-15(6-12)22-3/h4-9H,1-3H3.
What are the key properties of 6-(3,5-dimethoxyphenyl)-8-fluoro-2-methylquinazoline?
6-(3,5-dimethoxyphenyl)-8-fluoro-2-methylquinazoline has a molecular weight of 298.32 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethoxyphenyl)-8-fluoro-2-methylquinazoline is sourced from PubChem (CID 123452237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).