7-methoxy-N-(2-phenylethyl)-2-(trifluoromethyl)quinazolin-4-amine

C18H16F3N3O — CID 21003694

IUPAC7-methoxy-N-(2-phenylethyl)-2-(trifluoromethyl)quinazolin-4-amine
SMILESCOc1ccc2c(NCCc3ccccc3)nc(C(F)(F)F)nc2c1
InChIInChI=1S/C18H16F3N3O/c1-25-13-7-8-14-15(11-13)23-17(18(19,20)21)24-16(14)22-10-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,22,23,24)
InChIKeyLSHDXWWGEIIOKN-UHFFFAOYSA-N
MW347.34 g/mol
LogP4.31
Rot. Bonds5

About 7-methoxy-N-(2-phenylethyl)-2-(trifluoromethyl)quinazolin-4-amine

7-methoxy-N-(2-phenylethyl)-2-(trifluoromethyl)quinazolin-4-amine (PubChem CID 21003694) has the molecular formula C18H16F3N3O and a molecular weight of 347.34 g/mol. Its IUPAC name is 7-methoxy-N-(2-phenylethyl)-2-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound Name7-methoxy-N-(2-phenylethyl)-2-(trifluoromethyl)quinazolin-4-amine
PubChem CID21003694
Molecular FormulaC18H16F3N3O
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC Name7-methoxy-N-(2-phenylethyl)-2-(trifluoromethyl)quinazolin-4-amine
SMILESCOc1ccc2c(NCCc3ccccc3)nc(C(F)(F)F)nc2c1
InChIInChI=1S/C18H16F3N3O/c1-25-13-7-8-14-15(11-13)23-17(18(19,20)21)24-16(14)22-10-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,22,23,24)
InChIKeyLSHDXWWGEIIOKN-UHFFFAOYSA-N
XLogP4.31
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-7-methoxy-2-(trifluoromethyl)quinazolin-4-amine
CID 110431380
6-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]hexanoic acid
CID 21003748
7-methoxy-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 110431386
2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methylpropan-1-ol
CID 110433067
N-benzyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine
CID 21003392
6-methyl-N-(2-phenylethyl)-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430884
2-N,4-N-dibenzyl-7-methoxyquinazoline-2,4-diamine
CID 46850885
2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-3-methylbutanoic acid
CID 21003732
7-methoxy-2-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 7719355
2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-4-methylsulfanylbutanoic acid
CID 21003737
2-N,3-N-bis[2-(4-methoxyphenyl)ethyl]quinoxaline-2,3-diamine
CID 1023772
6-methoxy-4-N-methyl-2-N-(2-phenylethyl)quinazoline-2,4-diamine
CID 138683086

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(2-phenylethyl)-2-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of 7-methoxy-N-(2-phenylethyl)-2-(trifluoromethyl)quinazolin-4-amine (CID 21003694) is 7-methoxy-N-(2-phenylethyl)-2-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for 7-methoxy-N-(2-phenylethyl)-2-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for 7-methoxy-N-(2-phenylethyl)-2-(trifluoromethyl)quinazolin-4-amine is COc1ccc2c(NCCc3ccccc3)nc(C(F)(F)F)nc2c1.
What is the InChIKey of 7-methoxy-N-(2-phenylethyl)-2-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is LSHDXWWGEIIOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O/c1-25-13-7-8-14-15(11-13)23-17(18(19,20)21)24-16(14)22-10-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,22,23,24).
What are the key properties of 7-methoxy-N-(2-phenylethyl)-2-(trifluoromethyl)quinazolin-4-amine?
7-methoxy-N-(2-phenylethyl)-2-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 347.34 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(2-phenylethyl)-2-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 21003694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).