2-(2-chloro-6-fluorophenyl)-4-methylidene-2,3-dihydro-1H-quinazoline

C15H12ClFN2 — CID 164880767

IUPAC2-(2-chloro-6-fluorophenyl)-4-methylidene-2,3-dihydro-1H-quinazoline
SMILESC=C1NC(c2c(F)cccc2Cl)Nc2ccccc21
InChIInChI=1S/C15H12ClFN2/c1-9-10-5-2-3-8-13(10)19-15(18-9)14-11(16)6-4-7-12(14)17/h2-8,15,18-19H,1H2
InChIKeyRQTFPGUXLCCJMU-UHFFFAOYSA-N
MW274.73 g/mol
LogP4.16
Rot. Bonds1

About 2-(2-chloro-6-fluorophenyl)-4-methylidene-2,3-dihydro-1H-quinazoline

2-(2-chloro-6-fluorophenyl)-4-methylidene-2,3-dihydro-1H-quinazoline (PubChem CID 164880767) has the molecular formula C15H12ClFN2 and a molecular weight of 274.73 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-4-methylidene-2,3-dihydro-1H-quinazoline.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-4-methylidene-2,3-dihydro-1H-quinazoline
PubChem CID164880767
Molecular FormulaC15H12ClFN2
Molecular Weight274.73 g/mol
Exact Mass274.07
IUPAC Name2-(2-chloro-6-fluorophenyl)-4-methylidene-2,3-dihydro-1H-quinazoline
SMILESC=C1NC(c2c(F)cccc2Cl)Nc2ccccc21
InChIInChI=1S/C15H12ClFN2/c1-9-10-5-2-3-8-13(10)19-15(18-9)14-11(16)6-4-7-12(14)17/h2-8,15,18-19H,1H2
InChIKeyRQTFPGUXLCCJMU-UHFFFAOYSA-N
XLogP4.16
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 727019
CID 727019
CID 668462
CID 668462
CID 760602
CID 760602
CID 899244
CID 899244
CID 2731424
CID 2731424
CID 2810578
CID 2810578
CID 2810581
CID 2810581
CID 135458392
CID 135458392
CID 135458393
CID 135458393
CID 800617
CID 800617
CID 2098763
CID 2098763
CID 4095881
CID 4095881

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-4-methylidene-2,3-dihydro-1H-quinazoline?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-4-methylidene-2,3-dihydro-1H-quinazoline (CID 164880767) is 2-(2-chloro-6-fluorophenyl)-4-methylidene-2,3-dihydro-1H-quinazoline.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-4-methylidene-2,3-dihydro-1H-quinazoline?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-4-methylidene-2,3-dihydro-1H-quinazoline is C=C1NC(c2c(F)cccc2Cl)Nc2ccccc21.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-4-methylidene-2,3-dihydro-1H-quinazoline?
The InChIKey is RQTFPGUXLCCJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2/c1-9-10-5-2-3-8-13(10)19-15(18-9)14-11(16)6-4-7-12(14)17/h2-8,15,18-19H,1H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-4-methylidene-2,3-dihydro-1H-quinazoline?
2-(2-chloro-6-fluorophenyl)-4-methylidene-2,3-dihydro-1H-quinazoline has a molecular weight of 274.73 g/mol, XLogP of 4.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-4-methylidene-2,3-dihydro-1H-quinazoline is sourced from PubChem (CID 164880767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).