6-fluoro-4-(2-methylpiperidin-1-yl)-2-(trifluoromethyl)quinazoline

C15H15F4N3 — CID 110433500

IUPAC6-fluoro-4-(2-methylpiperidin-1-yl)-2-(trifluoromethyl)quinazoline
SMILESCC1CCCCN1c1nc(C(F)(F)F)nc2ccc(F)cc12
InChIInChI=1S/C15H15F4N3/c1-9-4-2-3-7-22(9)13-11-8-10(16)5-6-12(11)20-14(21-13)15(17,18)19/h5-6,8-9H,2-4,7H2,1H3
InChIKeyHOWSGMKFQHXQBW-UHFFFAOYSA-N
MW313.30 g/mol
LogP4.17
Rot. Bonds1

About 6-fluoro-4-(2-methylpiperidin-1-yl)-2-(trifluoromethyl)quinazoline

6-fluoro-4-(2-methylpiperidin-1-yl)-2-(trifluoromethyl)quinazoline (PubChem CID 110433500) has the molecular formula C15H15F4N3 and a molecular weight of 313.30 g/mol. Its IUPAC name is 6-fluoro-4-(2-methylpiperidin-1-yl)-2-(trifluoromethyl)quinazoline.

Molecular Properties

Compound Name6-fluoro-4-(2-methylpiperidin-1-yl)-2-(trifluoromethyl)quinazoline
PubChem CID110433500
Molecular FormulaC15H15F4N3
Molecular Weight313.30 g/mol
Exact Mass313.12
IUPAC Name6-fluoro-4-(2-methylpiperidin-1-yl)-2-(trifluoromethyl)quinazoline
SMILESCC1CCCCN1c1nc(C(F)(F)F)nc2ccc(F)cc12
InChIInChI=1S/C15H15F4N3/c1-9-4-2-3-7-22(9)13-11-8-10(16)5-6-12(11)20-14(21-13)15(17,18)19/h5-6,8-9H,2-4,7H2,1H3
InChIKeyHOWSGMKFQHXQBW-UHFFFAOYSA-N
XLogP4.17
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-(2-methylpiperidin-1-yl)-2-(trifluoromethyl)quinazoline?
The IUPAC name of 6-fluoro-4-(2-methylpiperidin-1-yl)-2-(trifluoromethyl)quinazoline (CID 110433500) is 6-fluoro-4-(2-methylpiperidin-1-yl)-2-(trifluoromethyl)quinazoline.
What is the SMILES notation for 6-fluoro-4-(2-methylpiperidin-1-yl)-2-(trifluoromethyl)quinazoline?
The canonical SMILES for 6-fluoro-4-(2-methylpiperidin-1-yl)-2-(trifluoromethyl)quinazoline is CC1CCCCN1c1nc(C(F)(F)F)nc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-4-(2-methylpiperidin-1-yl)-2-(trifluoromethyl)quinazoline?
The InChIKey is HOWSGMKFQHXQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4N3/c1-9-4-2-3-7-22(9)13-11-8-10(16)5-6-12(11)20-14(21-13)15(17,18)19/h5-6,8-9H,2-4,7H2,1H3.
What are the key properties of 6-fluoro-4-(2-methylpiperidin-1-yl)-2-(trifluoromethyl)quinazoline?
6-fluoro-4-(2-methylpiperidin-1-yl)-2-(trifluoromethyl)quinazoline has a molecular weight of 313.30 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-(2-methylpiperidin-1-yl)-2-(trifluoromethyl)quinazoline is sourced from PubChem (CID 110433500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).