1-[3-[6-[4-methoxy-3-(trifluoromethyl)phenyl]quinazolin-4-yl]phenyl]ethanone

C24H17F3N2O2 — CID 123479114

IUPAC1-[3-[6-[4-methoxy-3-(trifluoromethyl)phenyl]quinazolin-4-yl]phenyl]ethanone
SMILESCOc1ccc(-c2ccc3ncnc(-c4cccc(C(C)=O)c4)c3c2)cc1C(F)(F)F
InChIInChI=1S/C24H17F3N2O2/c1-14(30)15-4-3-5-18(10-15)23-19-11-16(6-8-21(19)28-13-29-23)17-7-9-22(31-2)20(12-17)24(25,26)27/h3-13H,1-2H3
InChIKeyPIZISUGXWXLCSV-UHFFFAOYSA-N
MW422.41 g/mol
LogP6.19
Rot. Bonds4

About 1-[3-[6-[4-methoxy-3-(trifluoromethyl)phenyl]quinazolin-4-yl]phenyl]ethanone

1-[3-[6-[4-methoxy-3-(trifluoromethyl)phenyl]quinazolin-4-yl]phenyl]ethanone (PubChem CID 123479114) has the molecular formula C24H17F3N2O2 and a molecular weight of 422.41 g/mol. Its IUPAC name is 1-[3-[6-[4-methoxy-3-(trifluoromethyl)phenyl]quinazolin-4-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[6-[4-methoxy-3-(trifluoromethyl)phenyl]quinazolin-4-yl]phenyl]ethanone
PubChem CID123479114
Molecular FormulaC24H17F3N2O2
Molecular Weight422.41 g/mol
Exact Mass422.12
IUPAC Name1-[3-[6-[4-methoxy-3-(trifluoromethyl)phenyl]quinazolin-4-yl]phenyl]ethanone
SMILESCOc1ccc(-c2ccc3ncnc(-c4cccc(C(C)=O)c4)c3c2)cc1C(F)(F)F
InChIInChI=1S/C24H17F3N2O2/c1-14(30)15-4-3-5-18(10-15)23-19-11-16(6-8-21(19)28-13-29-23)17-7-9-22(31-2)20(12-17)24(25,26)27/h3-13H,1-2H3
InChIKeyPIZISUGXWXLCSV-UHFFFAOYSA-N
XLogP6.19
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.41
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethylpiperazin-1-yl)-[3-[6-[4-methoxy-3-(trifluoromethyl)phenyl]quinazolin-4-yl]phenyl]methanone
CID 123637401
4-(3,4-dimethoxyphenyl)-6-[4-methoxy-3-(trifluoromethoxy)phenyl]quinazoline
CID 66616189
6-(3,4-dimethoxyphenyl)-4-(3-methoxyphenyl)quinazoline
CID 25054919
6-(3,4-dimethoxyphenyl)-4-phenylquinazoline
CID 25054917
6-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]-4-(3-ethylphenyl)quinazoline
CID 123686536
4-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]benzamide
CID 25057485
1-[3-(4-methoxynaphthalen-1-yl)phenyl]ethanone
CID 61033105
2-methoxy-3-[4-methoxy-3-(trifluoromethyl)phenyl]benzoic acid
CID 53228634
[4-[6-(3,4-dimethoxyphenyl)quinazolin-4-yl]-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone
CID 25056466
1-[3-(2,5-dimethoxyphenyl)phenyl]ethanone
CID 21460495
3-[4-methoxy-3-(trifluoromethyl)phenyl]pyridine
CID 46317327
3-hydroxy-4-[4-methoxy-3-(trifluoromethyl)phenyl]benzoic acid
CID 53228622

Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-[4-methoxy-3-(trifluoromethyl)phenyl]quinazolin-4-yl]phenyl]ethanone?
The IUPAC name of 1-[3-[6-[4-methoxy-3-(trifluoromethyl)phenyl]quinazolin-4-yl]phenyl]ethanone (CID 123479114) is 1-[3-[6-[4-methoxy-3-(trifluoromethyl)phenyl]quinazolin-4-yl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[6-[4-methoxy-3-(trifluoromethyl)phenyl]quinazolin-4-yl]phenyl]ethanone?
The canonical SMILES for 1-[3-[6-[4-methoxy-3-(trifluoromethyl)phenyl]quinazolin-4-yl]phenyl]ethanone is COc1ccc(-c2ccc3ncnc(-c4cccc(C(C)=O)c4)c3c2)cc1C(F)(F)F.
What is the InChIKey of 1-[3-[6-[4-methoxy-3-(trifluoromethyl)phenyl]quinazolin-4-yl]phenyl]ethanone?
The InChIKey is PIZISUGXWXLCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N2O2/c1-14(30)15-4-3-5-18(10-15)23-19-11-16(6-8-21(19)28-13-29-23)17-7-9-22(31-2)20(12-17)24(25,26)27/h3-13H,1-2H3.
What are the key properties of 1-[3-[6-[4-methoxy-3-(trifluoromethyl)phenyl]quinazolin-4-yl]phenyl]ethanone?
1-[3-[6-[4-methoxy-3-(trifluoromethyl)phenyl]quinazolin-4-yl]phenyl]ethanone has a molecular weight of 422.41 g/mol, XLogP of 6.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-[4-methoxy-3-(trifluoromethyl)phenyl]quinazolin-4-yl]phenyl]ethanone is sourced from PubChem (CID 123479114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).