6,7-dimethoxy-4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]quinazoline

C24H19F3N2O3 — CID 15891222

IUPAC6,7-dimethoxy-4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]quinazoline
SMILESCOc1ccc(-c2ncnc3c(-c4ccc(C(F)(F)F)cc4)c(OC)c(OC)cc23)cc1
InChIInChI=1S/C24H19F3N2O3/c1-30-17-10-6-15(7-11-17)21-18-12-19(31-2)23(32-3)20(22(18)29-13-28-21)14-4-8-16(9-5-14)24(25,26)27/h4-13H,1-3H3
InChIKeyOHDHITMBJRPLOJ-UHFFFAOYSA-N
MW440.42 g/mol
LogP6.01
Rot. Bonds5

About 6,7-dimethoxy-4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]quinazoline

6,7-dimethoxy-4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]quinazoline (PubChem CID 15891222) has the molecular formula C24H19F3N2O3 and a molecular weight of 440.42 g/mol. Its IUPAC name is 6,7-dimethoxy-4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]quinazoline.

Molecular Properties

Compound Name6,7-dimethoxy-4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]quinazoline
PubChem CID15891222
Molecular FormulaC24H19F3N2O3
Molecular Weight440.42 g/mol
Exact Mass440.13
IUPAC Name6,7-dimethoxy-4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]quinazoline
SMILESCOc1ccc(-c2ncnc3c(-c4ccc(C(F)(F)F)cc4)c(OC)c(OC)cc23)cc1
InChIInChI=1S/C24H19F3N2O3/c1-30-17-10-6-15(7-11-17)21-18-12-19(31-2)23(32-3)20(22(18)29-13-28-21)14-4-8-16(9-5-14)24(25,26)27/h4-13H,1-3H3
InChIKeyOHDHITMBJRPLOJ-UHFFFAOYSA-N
XLogP6.01
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.42
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(4-methoxyphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene
CID 122370617
3-(4-methoxyphenyl)-1-methyl-5-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazole
CID 132940971
2,5-bis(4-methoxyphenyl)-1-methyl-4-[4-(trifluoromethyl)phenyl]imidazole
CID 53244019
6,7-dimethoxy-1-(4-methoxyphenyl)isoquinoline
CID 50923051
7-fluoro-4-(4-methoxyphenyl)quinazoline
CID 132520825
1-butyl-4-[4-(trifluoromethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)imidazole
CID 90114849
4-methoxy-3-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyridine
CID 134628418
2-(4-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 172909581
2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 170159674
3-(4-methoxyphenyl)-6-(trifluoromethyl)-[1,2]oxazolo[4,5-b]pyridine
CID 3751880
2-(4-methoxyphenyl)-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene
CID 46181810
2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]furan
CID 132514370

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]quinazoline?
The IUPAC name of 6,7-dimethoxy-4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]quinazoline (CID 15891222) is 6,7-dimethoxy-4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]quinazoline.
What is the SMILES notation for 6,7-dimethoxy-4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]quinazoline?
The canonical SMILES for 6,7-dimethoxy-4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]quinazoline is COc1ccc(-c2ncnc3c(-c4ccc(C(F)(F)F)cc4)c(OC)c(OC)cc23)cc1.
What is the InChIKey of 6,7-dimethoxy-4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]quinazoline?
The InChIKey is OHDHITMBJRPLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2O3/c1-30-17-10-6-15(7-11-17)21-18-12-19(31-2)23(32-3)20(22(18)29-13-28-21)14-4-8-16(9-5-14)24(25,26)27/h4-13H,1-3H3.
What are the key properties of 6,7-dimethoxy-4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]quinazoline?
6,7-dimethoxy-4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]quinazoline has a molecular weight of 440.42 g/mol, XLogP of 6.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-(4-methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]quinazoline is sourced from PubChem (CID 15891222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).