2-chloro-7-(trifluoromethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine

C21H17ClF3N5O3 — CID 142497948

IUPAC2-chloro-7-(trifluoromethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine
SMILESCOc1cc(-n2cnc(Nc3nc(Cl)nc4cc(C(F)(F)F)ccc34)c2)cc(OC)c1OC
InChIInChI=1S/C21H17ClF3N5O3/c1-31-15-7-12(8-16(32-2)18(15)33-3)30-9-17(26-10-30)28-19-13-5-4-11(21(23,24)25)6-14(13)27-20(22)29-19/h4-10H,1-3H3,(H,27,28,29)
InChIKeyKPCLVYQFUKTQEC-UHFFFAOYSA-N
MW479.85 g/mol
LogP5.26
Rot. Bonds6

About 2-chloro-7-(trifluoromethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine

2-chloro-7-(trifluoromethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine (PubChem CID 142497948) has the molecular formula C21H17ClF3N5O3 and a molecular weight of 479.85 g/mol. Its IUPAC name is 2-chloro-7-(trifluoromethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-7-(trifluoromethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine
PubChem CID142497948
Molecular FormulaC21H17ClF3N5O3
Molecular Weight479.85 g/mol
Exact Mass479.10
IUPAC Name2-chloro-7-(trifluoromethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine
SMILESCOc1cc(-n2cnc(Nc3nc(Cl)nc4cc(C(F)(F)F)ccc34)c2)cc(OC)c1OC
InChIInChI=1S/C21H17ClF3N5O3/c1-31-15-7-12(8-16(32-2)18(15)33-3)30-9-17(26-10-30)28-19-13-5-4-11(21(23,24)25)6-14(13)27-20(22)29-19/h4-10H,1-3H3,(H,27,28,29)
InChIKeyKPCLVYQFUKTQEC-UHFFFAOYSA-N
XLogP5.26
TPSA83.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.85
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-chloro-7-(trifluoromethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-(trifluoromethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine?
The IUPAC name of 2-chloro-7-(trifluoromethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine (CID 142497948) is 2-chloro-7-(trifluoromethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine.
What is the SMILES notation for 2-chloro-7-(trifluoromethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine?
The canonical SMILES for 2-chloro-7-(trifluoromethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine is COc1cc(-n2cnc(Nc3nc(Cl)nc4cc(C(F)(F)F)ccc34)c2)cc(OC)c1OC.
What is the InChIKey of 2-chloro-7-(trifluoromethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine?
The InChIKey is KPCLVYQFUKTQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF3N5O3/c1-31-15-7-12(8-16(32-2)18(15)33-3)30-9-17(26-10-30)28-19-13-5-4-11(21(23,24)25)6-14(13)27-20(22)29-19/h4-10H,1-3H3,(H,27,28,29).
What are the key properties of 2-chloro-7-(trifluoromethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine?
2-chloro-7-(trifluoromethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine has a molecular weight of 479.85 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-(trifluoromethyl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]quinazolin-4-amine is sourced from PubChem (CID 142497948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).