5-fluoro-4-methyl-7-methylidene-8H-quinazoline

C10H9FN2 — CID 145143633

IUPAC5-fluoro-4-methyl-7-methylidene-8H-quinazoline
SMILESC=C1C=C(F)c2c(C)ncnc2C1
InChIInChI=1S/C10H9FN2/c1-6-3-8(11)10-7(2)12-5-13-9(10)4-6/h3,5H,1,4H2,2H3
InChIKeyGWVBEFNPGPTYME-UHFFFAOYSA-N
MW176.19 g/mol
LogP2.21
Rot. Bonds

About 5-fluoro-4-methyl-7-methylidene-8H-quinazoline

5-fluoro-4-methyl-7-methylidene-8H-quinazoline (PubChem CID 145143633) has the molecular formula C10H9FN2 and a molecular weight of 176.19 g/mol. Its IUPAC name is 5-fluoro-4-methyl-7-methylidene-8H-quinazoline.

Molecular Properties

Compound Name5-fluoro-4-methyl-7-methylidene-8H-quinazoline
PubChem CID145143633
Molecular FormulaC10H9FN2
Molecular Weight176.19 g/mol
Exact Mass176.07
IUPAC Name5-fluoro-4-methyl-7-methylidene-8H-quinazoline
SMILESC=C1C=C(F)c2c(C)ncnc2C1
InChIInChI=1S/C10H9FN2/c1-6-3-8(11)10-7(2)12-5-13-9(10)4-6/h3,5H,1,4H2,2H3
InChIKeyGWVBEFNPGPTYME-UHFFFAOYSA-N
XLogP2.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methyl-4-styrylpyrimidin-2-amine
CID 49862522
4-Methyl-6-phenylpyrimidine
CID 598429
5,7-dihexyl-5-methyl-6H-quinazolin-4-amine
CID 44449131
5-methyl-5,7-bis[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-6H-quinazolin-4-amine
CID 44449134
4-(3-Fluorophenyl)-6-methylpyrimidine
CID 13072816
4-(4-Fluorophenyl)-6-methylpyrimidine
CID 13072817
4-Methyl-5-benzylpyrimidine
CID 86068067
5-(4-fluorophenyl)-4-methylPyrimidine
CID 101547428
5-Fluoro-4-phenyl-6-(trifluoromethyl)pyrimidine
CID 14112681
4-Benzyl-5-methylpyrimidine
CID 14984868
7,8-Dihydroquinazoline
CID 68306972
Imidazo[4,5-g]quinazoline
CID 69565530

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-7-methylidene-8H-quinazoline?
The IUPAC name of 5-fluoro-4-methyl-7-methylidene-8H-quinazoline (CID 145143633) is 5-fluoro-4-methyl-7-methylidene-8H-quinazoline.
What is the SMILES notation for 5-fluoro-4-methyl-7-methylidene-8H-quinazoline?
The canonical SMILES for 5-fluoro-4-methyl-7-methylidene-8H-quinazoline is C=C1C=C(F)c2c(C)ncnc2C1.
What is the InChIKey of 5-fluoro-4-methyl-7-methylidene-8H-quinazoline?
The InChIKey is GWVBEFNPGPTYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2/c1-6-3-8(11)10-7(2)12-5-13-9(10)4-6/h3,5H,1,4H2,2H3.
What are the key properties of 5-fluoro-4-methyl-7-methylidene-8H-quinazoline?
5-fluoro-4-methyl-7-methylidene-8H-quinazoline has a molecular weight of 176.19 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-7-methylidene-8H-quinazoline is sourced from PubChem (CID 145143633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).