7-methoxy-N-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinazolin-4-amine

C15H18F3N5O — CID 110435775

IUPAC7-methoxy-N-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinazolin-4-amine
SMILESCOc1ccc2c(NN3CCN(C)CC3)nc(C(F)(F)F)nc2c1
InChIInChI=1S/C15H18F3N5O/c1-22-5-7-23(8-6-22)21-13-11-4-3-10(24-2)9-12(11)19-14(20-13)15(16,17)18/h3-4,9H,5-8H2,1-2H3,(H,19,20,21)
InChIKeyNSYWTTYPKIJBJD-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.23
Rot. Bonds3

About 7-methoxy-N-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinazolin-4-amine

7-methoxy-N-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinazolin-4-amine (PubChem CID 110435775) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is 7-methoxy-N-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound Name7-methoxy-N-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinazolin-4-amine
PubChem CID110435775
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC Name7-methoxy-N-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinazolin-4-amine
SMILESCOc1ccc2c(NN3CCN(C)CC3)nc(C(F)(F)F)nc2c1
InChIInChI=1S/C15H18F3N5O/c1-22-5-7-23(8-6-22)21-13-11-4-3-10(24-2)9-12(11)19-14(20-13)15(16,17)18/h3-4,9H,5-8H2,1-2H3,(H,19,20,21)
InChIKeyNSYWTTYPKIJBJD-UHFFFAOYSA-N
XLogP2.23
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-butyl-7-methoxy-2-(trifluoromethyl)quinazolin-4-amine
CID 110431380
2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methylpropan-1-ol
CID 110433067
7-methoxy-4-(4-methylpiperazin-4-ium-1-yl)-2-(trifluoromethyl)quinazoline
CID 7749311
7-methoxy-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 110431386
7-methoxy-2-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 7719355
7-methoxy-N-(2-phenylethyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 21003694
2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-3-methylbutanoic acid
CID 21003732
6-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]hexanoic acid
CID 21003748
2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-4-methylsulfanylbutanoic acid
CID 21003737
2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-4-nitrophenol
CID 21003723
2-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetic acid
CID 21003786
4-N-(4-methylpiperazin-1-yl)quinazoline-2,4-diamine
CID 83027219

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of 7-methoxy-N-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinazolin-4-amine (CID 110435775) is 7-methoxy-N-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for 7-methoxy-N-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for 7-methoxy-N-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinazolin-4-amine is COc1ccc2c(NN3CCN(C)CC3)nc(C(F)(F)F)nc2c1.
What is the InChIKey of 7-methoxy-N-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is NSYWTTYPKIJBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-22-5-7-23(8-6-22)21-13-11-4-3-10(24-2)9-12(11)19-14(20-13)15(16,17)18/h3-4,9H,5-8H2,1-2H3,(H,19,20,21).
What are the key properties of 7-methoxy-N-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinazolin-4-amine?
7-methoxy-N-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 341.34 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 110435775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).