N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine

C19H12F9N3O2 — CID 21003443

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine
SMILESCOc1cc2nc(C(F)(F)F)nc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2cc1OC
InChIInChI=1S/C19H12F9N3O2/c1-32-13-6-11-12(7-14(13)33-2)30-16(19(26,27)28)31-15(11)29-10-4-8(17(20,21)22)3-9(5-10)18(23,24)25/h3-7H,1-2H3,(H,29,30,31)
InChIKeyWQQFBFMOGNCXSD-UHFFFAOYSA-N
MW485.31 g/mol
LogP6.45
Rot. Bonds4

About N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine

N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine (PubChem CID 21003443) has the molecular formula C19H12F9N3O2 and a molecular weight of 485.31 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine
PubChem CID21003443
Molecular FormulaC19H12F9N3O2
Molecular Weight485.31 g/mol
Exact Mass485.08
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine
SMILESCOc1cc2nc(C(F)(F)F)nc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2cc1OC
InChIInChI=1S/C19H12F9N3O2/c1-32-13-6-11-12(7-14(13)33-2)30-16(19(26,27)28)31-15(11)29-10-4-8(17(20,21)22)3-9(5-10)18(23,24)25/h3-7H,1-2H3,(H,29,30,31)
InChIKeyWQQFBFMOGNCXSD-UHFFFAOYSA-N
XLogP6.45
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.31
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethoxy-2-(trifluoromethyl)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

Related Compounds

N-tert-butyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine
CID 21003434
6,7-dimethoxy-N-[4-(pyridin-4-ylmethyl)phenyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 21003498
4-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-hydroxybenzoic acid
CID 21003513
2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methylpropan-1-ol
CID 110433148
N-cyclohexyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine
CID 21003381
7-methoxy-2-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 7719355
4-chloro-6,7-dimethoxy-2-(trifluoromethyl)quinazoline
CID 22693550
N-benzyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine
CID 21003392
2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]pentanoic acid
CID 21003476
4-[[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]methyl]benzoic acid
CID 21003534
2-chloro-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 45262047
N-(4-tert-butylphenyl)-2-chloro-6,7-dimethoxyquinazolin-4-amine
CID 22693257

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine (CID 21003443) is N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine is COc1cc2nc(C(F)(F)F)nc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2cc1OC.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is WQQFBFMOGNCXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F9N3O2/c1-32-13-6-11-12(7-14(13)33-2)30-16(19(26,27)28)31-15(11)29-10-4-8(17(20,21)22)3-9(5-10)18(23,24)25/h3-7H,1-2H3,(H,29,30,31).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine?
N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 485.31 g/mol, XLogP of 6.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 21003443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).