7-methoxy-4-(4-methylpiperazin-4-ium-1-yl)-2-(trifluoromethyl)quinazoline

C15H18F3N4O+ — CID 7749311

IUPAC7-methoxy-4-(4-methylpiperazin-4-ium-1-yl)-2-(trifluoromethyl)quinazoline
SMILESCOc1ccc2c(N3CC[NH+](C)CC3)nc(C(F)(F)F)nc2c1
InChIInChI=1S/C15H17F3N4O/c1-21-5-7-22(8-6-21)13-11-4-3-10(23-2)9-12(11)19-14(20-13)15(16,17)18/h3-4,9H,5-8H2,1-2H3/p+1
InChIKeySVUBETOXXIPWJX-UHFFFAOYSA-O
MW327.33 g/mol
LogP0.99
Rot. Bonds2

About 7-methoxy-4-(4-methylpiperazin-4-ium-1-yl)-2-(trifluoromethyl)quinazoline

7-methoxy-4-(4-methylpiperazin-4-ium-1-yl)-2-(trifluoromethyl)quinazoline (PubChem CID 7749311) has the molecular formula C15H18F3N4O+ and a molecular weight of 327.33 g/mol. Its IUPAC name is 7-methoxy-4-(4-methylpiperazin-4-ium-1-yl)-2-(trifluoromethyl)quinazoline.

Molecular Properties

Compound Name7-methoxy-4-(4-methylpiperazin-4-ium-1-yl)-2-(trifluoromethyl)quinazoline
PubChem CID7749311
Molecular FormulaC15H18F3N4O+
Molecular Weight327.33 g/mol
Exact Mass327.14
IUPAC Name7-methoxy-4-(4-methylpiperazin-4-ium-1-yl)-2-(trifluoromethyl)quinazoline
SMILESCOc1ccc2c(N3CC[NH+](C)CC3)nc(C(F)(F)F)nc2c1
InChIInChI=1S/C15H17F3N4O/c1-21-5-7-22(8-6-21)13-11-4-3-10(23-2)9-12(11)19-14(20-13)15(16,17)18/h3-4,9H,5-8H2,1-2H3/p+1
InChIKeySVUBETOXXIPWJX-UHFFFAOYSA-O
XLogP0.99
TPSA42.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-N-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinazolin-4-amine
CID 110435775
2-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetic acid
CID 21003786
7-methoxy-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 110431386
2-[ethyl-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]ethanol
CID 110433325
6-methoxy-4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]-2-(trifluoromethyl)quinazoline
CID 126797921
N-butyl-7-methoxy-2-(trifluoromethyl)quinazolin-4-amine
CID 110431380
N-[(3R)-1,1-dioxothiolan-3-yl]-7-methoxy-N-methyl-2-(trifluoromethyl)quinazolin-4-amine
CID 7749314
2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methylpropan-1-ol
CID 110433067
2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-3-methylbutanoic acid
CID 21003732
4-[4-(3-chlorophenyl)piperazin-1-yl]-6,7-dimethoxy-2-(trifluoromethyl)quinazoline
CID 21003432
7-methoxy-2-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 7719355
4-(azepan-1-yl)-7-methoxyquinazoline
CID 110433303

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-(4-methylpiperazin-4-ium-1-yl)-2-(trifluoromethyl)quinazoline?
The IUPAC name of 7-methoxy-4-(4-methylpiperazin-4-ium-1-yl)-2-(trifluoromethyl)quinazoline (CID 7749311) is 7-methoxy-4-(4-methylpiperazin-4-ium-1-yl)-2-(trifluoromethyl)quinazoline.
What is the SMILES notation for 7-methoxy-4-(4-methylpiperazin-4-ium-1-yl)-2-(trifluoromethyl)quinazoline?
The canonical SMILES for 7-methoxy-4-(4-methylpiperazin-4-ium-1-yl)-2-(trifluoromethyl)quinazoline is COc1ccc2c(N3CC[NH+](C)CC3)nc(C(F)(F)F)nc2c1.
What is the InChIKey of 7-methoxy-4-(4-methylpiperazin-4-ium-1-yl)-2-(trifluoromethyl)quinazoline?
The InChIKey is SVUBETOXXIPWJX-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H17F3N4O/c1-21-5-7-22(8-6-21)13-11-4-3-10(23-2)9-12(11)19-14(20-13)15(16,17)18/h3-4,9H,5-8H2,1-2H3/p+1.
What are the key properties of 7-methoxy-4-(4-methylpiperazin-4-ium-1-yl)-2-(trifluoromethyl)quinazoline?
7-methoxy-4-(4-methylpiperazin-4-ium-1-yl)-2-(trifluoromethyl)quinazoline has a molecular weight of 327.33 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-(4-methylpiperazin-4-ium-1-yl)-2-(trifluoromethyl)quinazoline is sourced from PubChem (CID 7749311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).