7-cyclopropyl-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione

C17H12F3N3O2 — CID 147367406

IUPAC7-cyclopropyl-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2cccnc2C(F)(F)F)c2cc(C3CC3)ccc12
InChIInChI=1S/C17H12F3N3O2/c18-17(19,20)14-12(2-1-7-21-14)23-13-8-10(9-3-4-9)5-6-11(13)15(24)22-16(23)25/h1-2,5-9H,3-4H2,(H,22,24,25)
InChIKeyDILCAWWDAFIXJZ-UHFFFAOYSA-N
MW347.30 g/mol
LogP2.97
Rot. Bonds2

About 7-cyclopropyl-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione

7-cyclopropyl-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione (PubChem CID 147367406) has the molecular formula C17H12F3N3O2 and a molecular weight of 347.30 g/mol. Its IUPAC name is 7-cyclopropyl-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name7-cyclopropyl-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione
PubChem CID147367406
Molecular FormulaC17H12F3N3O2
Molecular Weight347.30 g/mol
Exact Mass347.09
IUPAC Name7-cyclopropyl-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2cccnc2C(F)(F)F)c2cc(C3CC3)ccc12
InChIInChI=1S/C17H12F3N3O2/c18-17(19,20)14-12(2-1-7-21-14)23-13-8-10(9-3-4-9)5-6-11(13)15(24)22-16(23)25/h1-2,5-9H,3-4H2,(H,22,24,25)
InChIKeyDILCAWWDAFIXJZ-UHFFFAOYSA-N
XLogP2.97
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione?
The IUPAC name of 7-cyclopropyl-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione (CID 147367406) is 7-cyclopropyl-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione.
What is the SMILES notation for 7-cyclopropyl-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione?
The canonical SMILES for 7-cyclopropyl-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione is O=c1[nH]c(=O)n(-c2cccnc2C(F)(F)F)c2cc(C3CC3)ccc12.
What is the InChIKey of 7-cyclopropyl-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione?
The InChIKey is DILCAWWDAFIXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O2/c18-17(19,20)14-12(2-1-7-21-14)23-13-8-10(9-3-4-9)5-6-11(13)15(24)22-16(23)25/h1-2,5-9H,3-4H2,(H,22,24,25).
What are the key properties of 7-cyclopropyl-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione?
7-cyclopropyl-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione has a molecular weight of 347.30 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione is sourced from PubChem (CID 147367406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).