2-fluoro-3,6-dimethyl-2H-quinazoline

C10H11FN2 — CID 151270095

IUPAC2-fluoro-3,6-dimethyl-2H-quinazoline
SMILESCc1ccc2c(c1)=CN(C)C(F)N=2
InChIInChI=1S/C10H11FN2/c1-7-3-4-9-8(5-7)6-13(2)10(11)12-9/h3-6,10H,1-2H3
InChIKeyNWEFVOPABWGZMB-UHFFFAOYSA-N
MW178.21 g/mol
LogP0.55
Rot. Bonds

About 2-fluoro-3,6-dimethyl-2H-quinazoline

2-fluoro-3,6-dimethyl-2H-quinazoline (PubChem CID 151270095) has the molecular formula C10H11FN2 and a molecular weight of 178.21 g/mol. Its IUPAC name is 2-fluoro-3,6-dimethyl-2H-quinazoline.

Molecular Properties

Compound Name2-fluoro-3,6-dimethyl-2H-quinazoline
PubChem CID151270095
Molecular FormulaC10H11FN2
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name2-fluoro-3,6-dimethyl-2H-quinazoline
SMILESCc1ccc2c(c1)=CN(C)C(F)N=2
InChIInChI=1S/C10H11FN2/c1-7-3-4-9-8(5-7)6-13(2)10(11)12-9/h3-6,10H,1-2H3
InChIKeyNWEFVOPABWGZMB-UHFFFAOYSA-N
XLogP0.55
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-fluoro-3,6-dimethyl-2H-quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Methylquinazolinone
CID 70515486
Quinazoline, 2,3-dihydro-2-imino-3-methyl-
CID 171383925
Pyrido[2,1-b]quinazoline
CID 16637595
3-Bromoquinazoline
CID 21897181
Quinazoline-3-ol
CID 23192565
Azepino[2,1-b]quinazoline
CID 54195578
3-Methylquinazoline
CID 68345740
Pyrazino[2,1-b]quinazoline
CID 129653308
2H-quinazoline-3-carbonyl fluoride
CID 87668405
3-prop-2-enyl-7-(trifluoromethyl)-2H-quinazoline
CID 140200278
7-Fluoro-4-methyl-2,3-dihydro-1,4-benzodiazepine
CID 150629106
2-fluoro-3-methyl-2H-quinazoline
CID 150705953

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3,6-dimethyl-2H-quinazoline?
The IUPAC name of 2-fluoro-3,6-dimethyl-2H-quinazoline (CID 151270095) is 2-fluoro-3,6-dimethyl-2H-quinazoline.
What is the SMILES notation for 2-fluoro-3,6-dimethyl-2H-quinazoline?
The canonical SMILES for 2-fluoro-3,6-dimethyl-2H-quinazoline is Cc1ccc2c(c1)=CN(C)C(F)N=2.
What is the InChIKey of 2-fluoro-3,6-dimethyl-2H-quinazoline?
The InChIKey is NWEFVOPABWGZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2/c1-7-3-4-9-8(5-7)6-13(2)10(11)12-9/h3-6,10H,1-2H3.
What are the key properties of 2-fluoro-3,6-dimethyl-2H-quinazoline?
2-fluoro-3,6-dimethyl-2H-quinazoline has a molecular weight of 178.21 g/mol, XLogP of 0.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3,6-dimethyl-2H-quinazoline is sourced from PubChem (CID 151270095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).