7-chloro-5-(2-fluorophenyl)-1-methylimidazo[1,5-a]quinazoline

C17H11ClFN3 — CID 86086216

IUPAC7-chloro-5-(2-fluorophenyl)-1-methylimidazo[1,5-a]quinazoline
SMILESCc1ncc2nc(-c3ccccc3F)c3cc(Cl)ccc3n12
InChIInChI=1S/C17H11ClFN3/c1-10-20-9-16-21-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)22(10)16/h2-9H,1H3
InChIKeyISNSGMDQEOWSAL-UHFFFAOYSA-N
MW311.75 g/mol
LogP4.65
Rot. Bonds1

About 7-chloro-5-(2-fluorophenyl)-1-methylimidazo[1,5-a]quinazoline

7-chloro-5-(2-fluorophenyl)-1-methylimidazo[1,5-a]quinazoline (PubChem CID 86086216) has the molecular formula C17H11ClFN3 and a molecular weight of 311.75 g/mol. Its IUPAC name is 7-chloro-5-(2-fluorophenyl)-1-methylimidazo[1,5-a]quinazoline.

Molecular Properties

Compound Name7-chloro-5-(2-fluorophenyl)-1-methylimidazo[1,5-a]quinazoline
PubChem CID86086216
Molecular FormulaC17H11ClFN3
Molecular Weight311.75 g/mol
Exact Mass311.06
IUPAC Name7-chloro-5-(2-fluorophenyl)-1-methylimidazo[1,5-a]quinazoline
SMILESCc1ncc2nc(-c3ccccc3F)c3cc(Cl)ccc3n12
InChIInChI=1S/C17H11ClFN3/c1-10-20-9-16-21-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)22(10)16/h2-9H,1H3
InChIKeyISNSGMDQEOWSAL-UHFFFAOYSA-N
XLogP4.65
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.75
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(2-fluorophenyl)-1-methylimidazo[1,5-a]quinazoline?
The IUPAC name of 7-chloro-5-(2-fluorophenyl)-1-methylimidazo[1,5-a]quinazoline (CID 86086216) is 7-chloro-5-(2-fluorophenyl)-1-methylimidazo[1,5-a]quinazoline.
What is the SMILES notation for 7-chloro-5-(2-fluorophenyl)-1-methylimidazo[1,5-a]quinazoline?
The canonical SMILES for 7-chloro-5-(2-fluorophenyl)-1-methylimidazo[1,5-a]quinazoline is Cc1ncc2nc(-c3ccccc3F)c3cc(Cl)ccc3n12.
What is the InChIKey of 7-chloro-5-(2-fluorophenyl)-1-methylimidazo[1,5-a]quinazoline?
The InChIKey is ISNSGMDQEOWSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN3/c1-10-20-9-16-21-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)22(10)16/h2-9H,1H3.
What are the key properties of 7-chloro-5-(2-fluorophenyl)-1-methylimidazo[1,5-a]quinazoline?
7-chloro-5-(2-fluorophenyl)-1-methylimidazo[1,5-a]quinazoline has a molecular weight of 311.75 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(2-fluorophenyl)-1-methylimidazo[1,5-a]quinazoline is sourced from PubChem (CID 86086216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).