2-phenyl-4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazoline

C19H13F3N2 — CID 134146555

IUPAC2-phenyl-4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazoline
SMILESFC(F)(F)c1nc(-c2ccccc2)nc2c1CCc1ccccc1-2
InChIInChI=1S/C19H13F3N2/c20-19(21,22)17-15-11-10-12-6-4-5-9-14(12)16(15)23-18(24-17)13-7-2-1-3-8-13/h1-9H,10-11H2
InChIKeyCJMQXKLZAZJWIC-UHFFFAOYSA-N
MW326.32 g/mol
LogP4.93
Rot. Bonds1

About 2-phenyl-4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazoline

2-phenyl-4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazoline (PubChem CID 134146555) has the molecular formula C19H13F3N2 and a molecular weight of 326.32 g/mol. Its IUPAC name is 2-phenyl-4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazoline.

Molecular Properties

Compound Name2-phenyl-4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazoline
PubChem CID134146555
Molecular FormulaC19H13F3N2
Molecular Weight326.32 g/mol
Exact Mass326.10
IUPAC Name2-phenyl-4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazoline
SMILESFC(F)(F)c1nc(-c2ccccc2)nc2c1CCc1ccccc1-2
InChIInChI=1S/C19H13F3N2/c20-19(21,22)17-15-11-10-12-6-4-5-9-14(12)16(15)23-18(24-17)13-7-2-1-3-8-13/h1-9H,10-11H2
InChIKeyCJMQXKLZAZJWIC-UHFFFAOYSA-N
XLogP4.93
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazoline?
The IUPAC name of 2-phenyl-4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazoline (CID 134146555) is 2-phenyl-4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazoline.
What is the SMILES notation for 2-phenyl-4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazoline?
The canonical SMILES for 2-phenyl-4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazoline is FC(F)(F)c1nc(-c2ccccc2)nc2c1CCc1ccccc1-2.
What is the InChIKey of 2-phenyl-4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazoline?
The InChIKey is CJMQXKLZAZJWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2/c20-19(21,22)17-15-11-10-12-6-4-5-9-14(12)16(15)23-18(24-17)13-7-2-1-3-8-13/h1-9H,10-11H2.
What are the key properties of 2-phenyl-4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazoline?
2-phenyl-4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazoline has a molecular weight of 326.32 g/mol, XLogP of 4.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazoline is sourced from PubChem (CID 134146555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).