N-benzyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine

C18H16F3N3O2 — CID 21003392

IUPACN-benzyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine
SMILESCOc1cc2nc(C(F)(F)F)nc(NCc3ccccc3)c2cc1OC
InChIInChI=1S/C18H16F3N3O2/c1-25-14-8-12-13(9-15(14)26-2)23-17(18(19,20)21)24-16(12)22-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,22,23,24)
InChIKeyUDZFOISPVJDBTK-UHFFFAOYSA-N
MW363.34 g/mol
LogP4.28
Rot. Bonds5

About N-benzyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine

N-benzyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine (PubChem CID 21003392) has the molecular formula C18H16F3N3O2 and a molecular weight of 363.34 g/mol. Its IUPAC name is N-benzyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-benzyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine
PubChem CID21003392
Molecular FormulaC18H16F3N3O2
Molecular Weight363.34 g/mol
Exact Mass363.12
IUPAC NameN-benzyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine
SMILESCOc1cc2nc(C(F)(F)F)nc(NCc3ccccc3)c2cc1OC
InChIInChI=1S/C18H16F3N3O2/c1-25-14-8-12-13(9-15(14)26-2)23-17(18(19,20)21)24-16(12)22-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,22,23,24)
InChIKeyUDZFOISPVJDBTK-UHFFFAOYSA-N
XLogP4.28
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]methyl]benzoic acid
CID 21003534
2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-3-phenylpropanoic acid
CID 21003485
N-tert-butyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine
CID 21003434
6,7-dimethoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 170146944
2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methylpropan-1-ol
CID 110433148
7-methoxy-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 110431386
7-methoxy-N-(2-phenylethyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 21003694
N-[[4-(ethoxymethyl)phenyl]methyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 55591017
6,7-dimethoxy-N-[4-(pyridin-4-ylmethyl)phenyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 21003498
2-cyclopropyl-6,7-dimethoxy-N-[(4-phenylphenyl)methyl]quinazolin-4-amine
CID 169133029
4-[[4-(benzylamino)-6,7-dimethoxyquinazolin-2-yl]amino]cyclohexan-1-ol
CID 117090164
N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine
CID 21003443

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of N-benzyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine (CID 21003392) is N-benzyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for N-benzyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for N-benzyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine is COc1cc2nc(C(F)(F)F)nc(NCc3ccccc3)c2cc1OC.
What is the InChIKey of N-benzyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is UDZFOISPVJDBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2/c1-25-14-8-12-13(9-15(14)26-2)23-17(18(19,20)21)24-16(12)22-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,22,23,24).
What are the key properties of N-benzyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine?
N-benzyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 363.34 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 21003392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).