N-[4-(trifluoromethoxy)phenyl]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine

C24H20F3N3O4 — CID 46498621

IUPACN-[4-(trifluoromethoxy)phenyl]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
SMILESCOc1cc(-c2nc(Nc3ccc(OC(F)(F)F)cc3)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C24H20F3N3O4/c1-31-19-12-14(13-20(32-2)21(19)33-3)22-29-18-7-5-4-6-17(18)23(30-22)28-15-8-10-16(11-9-15)34-24(25,26)27/h4-13H,1-3H3,(H,28,29,30)
InChIKeyQMXWCQIMEKHYGF-UHFFFAOYSA-N
MW471.44 g/mol
LogP5.96
Rot. Bonds7

About N-[4-(trifluoromethoxy)phenyl]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine

N-[4-(trifluoromethoxy)phenyl]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine (PubChem CID 46498621) has the molecular formula C24H20F3N3O4 and a molecular weight of 471.44 g/mol. Its IUPAC name is N-[4-(trifluoromethoxy)phenyl]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[4-(trifluoromethoxy)phenyl]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
PubChem CID46498621
Molecular FormulaC24H20F3N3O4
Molecular Weight471.44 g/mol
Exact Mass471.14
IUPAC NameN-[4-(trifluoromethoxy)phenyl]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
SMILESCOc1cc(-c2nc(Nc3ccc(OC(F)(F)F)cc3)c3ccccc3n2)cc(OC)c1OC
InChIInChI=1S/C24H20F3N3O4/c1-31-19-12-14(13-20(32-2)21(19)33-3)22-29-18-7-5-4-6-17(18)23(30-22)28-15-8-10-16(11-9-15)34-24(25,26)27/h4-13H,1-3H3,(H,28,29,30)
InChIKeyQMXWCQIMEKHYGF-UHFFFAOYSA-N
XLogP5.96
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.44
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6,7-dimethoxy-N-phenylquinazolin-4-amine
CID 3798
N-(3-Iodophyenyl)-6,7-dimethoxyoxy-4-quinazolina
CID 5328201
6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine
CID 6926621
N-(3-bromophenyl)-5,6,7-trimethoxyquinazolin-4-amine
CID 5328228
N-benzyl-6,7-dimethoxyquinazolin-4-amine
CID 1474877
11N-112
CID 1474883
6,7-dimethoxy-N-(3-methylphenyl)quinazolin-4-amine
CID 2808977
6,7-dimethoxy-N-(3-methoxyphenyl)quinazolin-4-amine
CID 2808988
Src Kinase Inhibitor I
CID 1474853
6,7-dimethoxy-N-(3-(trifluoromethyl)phenyl)quinazolin-4-amine
CID 5328202
6,7-dimethoxy-N~2~-(2-methoxy-5-methylphenyl)quinazoline-2,4-diamine
CID 15990109
N~2~-(4-fluorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine
CID 24762052

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethoxy)phenyl]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine?
The IUPAC name of N-[4-(trifluoromethoxy)phenyl]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine (CID 46498621) is N-[4-(trifluoromethoxy)phenyl]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for N-[4-(trifluoromethoxy)phenyl]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine?
The canonical SMILES for N-[4-(trifluoromethoxy)phenyl]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine is COc1cc(-c2nc(Nc3ccc(OC(F)(F)F)cc3)c3ccccc3n2)cc(OC)c1OC.
What is the InChIKey of N-[4-(trifluoromethoxy)phenyl]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine?
The InChIKey is QMXWCQIMEKHYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O4/c1-31-19-12-14(13-20(32-2)21(19)33-3)22-29-18-7-5-4-6-17(18)23(30-22)28-15-8-10-16(11-9-15)34-24(25,26)27/h4-13H,1-3H3,(H,28,29,30).
What are the key properties of N-[4-(trifluoromethoxy)phenyl]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine?
N-[4-(trifluoromethoxy)phenyl]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine has a molecular weight of 471.44 g/mol, XLogP of 5.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethoxy)phenyl]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 46498621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).