3-(7-cyclopropyl-3-methylimidazo[1,2-a]pyridin-2-yl)-7-(trifluoromethyl)quinazolin-4-one

C20H15F3N4O — CID 166967702

IUPAC3-(7-cyclopropyl-3-methylimidazo[1,2-a]pyridin-2-yl)-7-(trifluoromethyl)quinazolin-4-one
SMILESCc1c(-n2cnc3cc(C(F)(F)F)ccc3c2=O)nc2cc(C3CC3)ccn12
InChIInChI=1S/C20H15F3N4O/c1-11-18(25-17-8-13(12-2-3-12)6-7-26(11)17)27-10-24-16-9-14(20(21,22)23)4-5-15(16)19(27)28/h4-10,12H,2-3H2,1H3
InChIKeyJORGKQGXAZZAGQ-UHFFFAOYSA-N
MW384.36 g/mol
LogP4.24
Rot. Bonds2

About 3-(7-cyclopropyl-3-methylimidazo[1,2-a]pyridin-2-yl)-7-(trifluoromethyl)quinazolin-4-one

3-(7-cyclopropyl-3-methylimidazo[1,2-a]pyridin-2-yl)-7-(trifluoromethyl)quinazolin-4-one (PubChem CID 166967702) has the molecular formula C20H15F3N4O and a molecular weight of 384.36 g/mol. Its IUPAC name is 3-(7-cyclopropyl-3-methylimidazo[1,2-a]pyridin-2-yl)-7-(trifluoromethyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(7-cyclopropyl-3-methylimidazo[1,2-a]pyridin-2-yl)-7-(trifluoromethyl)quinazolin-4-one
PubChem CID166967702
Molecular FormulaC20H15F3N4O
Molecular Weight384.36 g/mol
Exact Mass384.12
IUPAC Name3-(7-cyclopropyl-3-methylimidazo[1,2-a]pyridin-2-yl)-7-(trifluoromethyl)quinazolin-4-one
SMILESCc1c(-n2cnc3cc(C(F)(F)F)ccc3c2=O)nc2cc(C3CC3)ccn12
InChIInChI=1S/C20H15F3N4O/c1-11-18(25-17-8-13(12-2-3-12)6-7-26(11)17)27-10-24-16-9-14(20(21,22)23)4-5-15(16)19(27)28/h4-10,12H,2-3H2,1H3
InChIKeyJORGKQGXAZZAGQ-UHFFFAOYSA-N
XLogP4.24
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(7-cyclopropyl-3-methylimidazo[1,2-a]pyridin-2-yl)-7-(trifluoromethyl)quinazolin-4-one?
The IUPAC name of 3-(7-cyclopropyl-3-methylimidazo[1,2-a]pyridin-2-yl)-7-(trifluoromethyl)quinazolin-4-one (CID 166967702) is 3-(7-cyclopropyl-3-methylimidazo[1,2-a]pyridin-2-yl)-7-(trifluoromethyl)quinazolin-4-one.
What is the SMILES notation for 3-(7-cyclopropyl-3-methylimidazo[1,2-a]pyridin-2-yl)-7-(trifluoromethyl)quinazolin-4-one?
The canonical SMILES for 3-(7-cyclopropyl-3-methylimidazo[1,2-a]pyridin-2-yl)-7-(trifluoromethyl)quinazolin-4-one is Cc1c(-n2cnc3cc(C(F)(F)F)ccc3c2=O)nc2cc(C3CC3)ccn12.
What is the InChIKey of 3-(7-cyclopropyl-3-methylimidazo[1,2-a]pyridin-2-yl)-7-(trifluoromethyl)quinazolin-4-one?
The InChIKey is JORGKQGXAZZAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O/c1-11-18(25-17-8-13(12-2-3-12)6-7-26(11)17)27-10-24-16-9-14(20(21,22)23)4-5-15(16)19(27)28/h4-10,12H,2-3H2,1H3.
What are the key properties of 3-(7-cyclopropyl-3-methylimidazo[1,2-a]pyridin-2-yl)-7-(trifluoromethyl)quinazolin-4-one?
3-(7-cyclopropyl-3-methylimidazo[1,2-a]pyridin-2-yl)-7-(trifluoromethyl)quinazolin-4-one has a molecular weight of 384.36 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-cyclopropyl-3-methylimidazo[1,2-a]pyridin-2-yl)-7-(trifluoromethyl)quinazolin-4-one is sourced from PubChem (CID 166967702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).