4-(3,4-dimethoxyphenyl)-6-[4-methoxy-3-(trifluoromethoxy)phenyl]quinazoline

C24H19F3N2O4 — CID 66616189

IUPAC4-(3,4-dimethoxyphenyl)-6-[4-methoxy-3-(trifluoromethoxy)phenyl]quinazoline
SMILESCOc1ccc(-c2ncnc3ccc(-c4ccc(OC)c(OC(F)(F)F)c4)cc23)cc1OC
InChIInChI=1S/C24H19F3N2O4/c1-30-19-9-6-16(12-21(19)32-3)23-17-10-14(4-7-18(17)28-13-29-23)15-5-8-20(31-2)22(11-15)33-24(25,26)27/h4-13H,1-3H3
InChIKeyUTKFYBOKWFTUMA-UHFFFAOYSA-N
MW456.42 g/mol
LogP5.89
Rot. Bonds6

About 4-(3,4-dimethoxyphenyl)-6-[4-methoxy-3-(trifluoromethoxy)phenyl]quinazoline

4-(3,4-dimethoxyphenyl)-6-[4-methoxy-3-(trifluoromethoxy)phenyl]quinazoline (PubChem CID 66616189) has the molecular formula C24H19F3N2O4 and a molecular weight of 456.42 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-6-[4-methoxy-3-(trifluoromethoxy)phenyl]quinazoline.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-6-[4-methoxy-3-(trifluoromethoxy)phenyl]quinazoline
PubChem CID66616189
Molecular FormulaC24H19F3N2O4
Molecular Weight456.42 g/mol
Exact Mass456.13
IUPAC Name4-(3,4-dimethoxyphenyl)-6-[4-methoxy-3-(trifluoromethoxy)phenyl]quinazoline
SMILESCOc1ccc(-c2ncnc3ccc(-c4ccc(OC)c(OC(F)(F)F)c4)cc23)cc1OC
InChIInChI=1S/C24H19F3N2O4/c1-30-19-9-6-16(12-21(19)32-3)23-17-10-14(4-7-18(17)28-13-29-23)15-5-8-20(31-2)22(11-15)33-24(25,26)27/h4-13H,1-3H3
InChIKeyUTKFYBOKWFTUMA-UHFFFAOYSA-N
XLogP5.89
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.42
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-6-[4-methoxy-3-(trifluoromethoxy)phenyl]quinazoline?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-6-[4-methoxy-3-(trifluoromethoxy)phenyl]quinazoline (CID 66616189) is 4-(3,4-dimethoxyphenyl)-6-[4-methoxy-3-(trifluoromethoxy)phenyl]quinazoline.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-6-[4-methoxy-3-(trifluoromethoxy)phenyl]quinazoline?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-6-[4-methoxy-3-(trifluoromethoxy)phenyl]quinazoline is COc1ccc(-c2ncnc3ccc(-c4ccc(OC)c(OC(F)(F)F)c4)cc23)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-6-[4-methoxy-3-(trifluoromethoxy)phenyl]quinazoline?
The InChIKey is UTKFYBOKWFTUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2O4/c1-30-19-9-6-16(12-21(19)32-3)23-17-10-14(4-7-18(17)28-13-29-23)15-5-8-20(31-2)22(11-15)33-24(25,26)27/h4-13H,1-3H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)-6-[4-methoxy-3-(trifluoromethoxy)phenyl]quinazoline?
4-(3,4-dimethoxyphenyl)-6-[4-methoxy-3-(trifluoromethoxy)phenyl]quinazoline has a molecular weight of 456.42 g/mol, XLogP of 5.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-6-[4-methoxy-3-(trifluoromethoxy)phenyl]quinazoline is sourced from PubChem (CID 66616189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).