7-methoxy-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-amine

C19H16F3N3O — CID 142383065

IUPAC7-methoxy-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-amine
SMILESC=C(Nc1nc(C)nc2cc(OC)ccc12)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F3N3O/c1-11(13-5-4-6-14(9-13)19(20,21)22)23-18-16-8-7-15(26-3)10-17(16)24-12(2)25-18/h4-10H,1H2,2-3H3,(H,23,24,25)
InChIKeyMOOXTSNDCVSRJU-UHFFFAOYSA-N
MW359.35 g/mol
LogP5.05
Rot. Bonds4

About 7-methoxy-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-amine

7-methoxy-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-amine (PubChem CID 142383065) has the molecular formula C19H16F3N3O and a molecular weight of 359.35 g/mol. Its IUPAC name is 7-methoxy-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-amine.

Molecular Properties

Compound Name7-methoxy-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-amine
PubChem CID142383065
Molecular FormulaC19H16F3N3O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC Name7-methoxy-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-amine
SMILESC=C(Nc1nc(C)nc2cc(OC)ccc12)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F3N3O/c1-11(13-5-4-6-14(9-13)19(20,21)22)23-18-16-8-7-15(26-3)10-17(16)24-12(2)25-18/h4-10H,1H2,2-3H3,(H,23,24,25)
InChIKeyMOOXTSNDCVSRJU-UHFFFAOYSA-N
XLogP5.05
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.35
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-2-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 7719355
N-methoxy-1-[3-(trifluoromethyl)phenyl]ethenamine
CID 56978932
6,7-dimethoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 170146944
(4-methoxyphenyl) 3-(trifluoromethyl)benzoate
CID 532434
N-(2,5-dimethoxyphenyl)-3-(trifluoromethyl)benzamide
CID 531811
4-N-(3-methoxyphenyl)-2-methyl-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112878340
5-methyl-2-[(3S)-oxolan-3-yl]oxy-N-[1-[3-(trifluoromethyl)phenyl]ethenyl]pyrido[2,3-d]pyridazin-8-amine
CID 168985291
N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 4149542
1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788880
(6-methoxy-2-methylquinazolin-4-yl)hydrazine
CID 106584440
(2-amino-5-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 69458857
N-(2,3-dihydro-1-benzothiophen-4-ylmethyl)-7-methoxy-2-methylquinazolin-4-amine
CID 174199141

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-amine?
The IUPAC name of 7-methoxy-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-amine (CID 142383065) is 7-methoxy-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-amine.
What is the SMILES notation for 7-methoxy-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-amine?
The canonical SMILES for 7-methoxy-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-amine is C=C(Nc1nc(C)nc2cc(OC)ccc12)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 7-methoxy-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-amine?
The InChIKey is MOOXTSNDCVSRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O/c1-11(13-5-4-6-14(9-13)19(20,21)22)23-18-16-8-7-15(26-3)10-17(16)24-12(2)25-18/h4-10H,1H2,2-3H3,(H,23,24,25).
What are the key properties of 7-methoxy-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-amine?
7-methoxy-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-amine has a molecular weight of 359.35 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-amine is sourced from PubChem (CID 142383065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).