6,8-dimethyl-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinazoline

C16H19F3N4 — CID 4124471

IUPAC6,8-dimethyl-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinazoline
SMILESCc1cc(C)c2nc(C(F)(F)F)nc(N3CCN(C)CC3)c2c1
InChIInChI=1S/C16H19F3N4/c1-10-8-11(2)13-12(9-10)14(21-15(20-13)16(17,18)19)23-6-4-22(3)5-7-23/h8-9H,4-7H2,1-3H3
InChIKeyPEODRRFLDHXGPV-UHFFFAOYSA-N
MW324.35 g/mol
LogP3.02
Rot. Bonds1

About 6,8-dimethyl-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinazoline

6,8-dimethyl-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinazoline (PubChem CID 4124471) has the molecular formula C16H19F3N4 and a molecular weight of 324.35 g/mol. Its IUPAC name is 6,8-dimethyl-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinazoline.

Molecular Properties

Compound Name6,8-dimethyl-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinazoline
PubChem CID4124471
Molecular FormulaC16H19F3N4
Molecular Weight324.35 g/mol
Exact Mass324.16
IUPAC Name6,8-dimethyl-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinazoline
SMILESCc1cc(C)c2nc(C(F)(F)F)nc(N3CCN(C)CC3)c2c1
InChIInChI=1S/C16H19F3N4/c1-10-8-11(2)13-12(9-10)14(21-15(20-13)16(17,18)19)23-6-4-22(3)5-7-23/h8-9H,4-7H2,1-3H3
InChIKeyPEODRRFLDHXGPV-UHFFFAOYSA-N
XLogP3.02
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinazoline?
The IUPAC name of 6,8-dimethyl-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinazoline (CID 4124471) is 6,8-dimethyl-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinazoline.
What is the SMILES notation for 6,8-dimethyl-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinazoline?
The canonical SMILES for 6,8-dimethyl-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinazoline is Cc1cc(C)c2nc(C(F)(F)F)nc(N3CCN(C)CC3)c2c1.
What is the InChIKey of 6,8-dimethyl-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinazoline?
The InChIKey is PEODRRFLDHXGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4/c1-10-8-11(2)13-12(9-10)14(21-15(20-13)16(17,18)19)23-6-4-22(3)5-7-23/h8-9H,4-7H2,1-3H3.
What are the key properties of 6,8-dimethyl-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinazoline?
6,8-dimethyl-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinazoline has a molecular weight of 324.35 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinazoline is sourced from PubChem (CID 4124471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).