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

C17H20F3N3O2 — CID 21003381

IUPACN-cyclohexyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine
SMILESCOc1cc2nc(C(F)(F)F)nc(NC3CCCCC3)c2cc1OC
InChIInChI=1S/C17H20F3N3O2/c1-24-13-8-11-12(9-14(13)25-2)22-16(17(18,19)20)23-15(11)21-10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,21,22,23)
InChIKeyXNECJSCBYLNSEU-UHFFFAOYSA-N
MW355.36 g/mol
LogP4.41
Rot. Bonds4

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

N-cyclohexyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine (PubChem CID 21003381) has the molecular formula C17H20F3N3O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is N-cyclohexyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine
PubChem CID21003381
Molecular FormulaC17H20F3N3O2
Molecular Weight355.36 g/mol
Exact Mass355.15
IUPAC NameN-cyclohexyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine
SMILESCOc1cc2nc(C(F)(F)F)nc(NC3CCCCC3)c2cc1OC
InChIInChI=1S/C17H20F3N3O2/c1-24-13-8-11-12(9-14(13)25-2)22-16(17(18,19)20)23-15(11)21-10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,21,22,23)
InChIKeyXNECJSCBYLNSEU-UHFFFAOYSA-N
XLogP4.41
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-cyclohexyl-6,7-dimethoxyquinazoline-2,4-diamine
CID 57342963
2-chloro-N-cyclopentyl-6,7-dimethoxyquinazolin-4-amine
CID 22692592
N-tert-butyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine
CID 21003434
N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine
CID 21003443
2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methylpropan-1-ol
CID 110433148
N-cyclohexyl-3-cyclopropyl-6,7-dimethoxyisoquinolin-1-amine
CID 53475103
4-chloro-6,7-dimethoxy-2-(trifluoromethyl)quinazoline
CID 22693550
2-chloro-6,7-dimethoxy-N-(oxan-4-yl)quinazolin-4-amine
CID 46901939
N-benzyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine
CID 21003392
6,7-dimethoxy-N-(4-pyrrolidin-1-ylbutyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 21003457
3-N-cyclohexyl-1-N-[2-(trifluoromethyl)quinazolin-4-yl]cyclobutane-1,3-diamine
CID 138042973
1-[4-[(6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-yl)amino]piperidin-1-yl]ethanone
CID 71738547

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of N-cyclohexyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine (CID 21003381) is N-cyclohexyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for N-cyclohexyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for N-cyclohexyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine is COc1cc2nc(C(F)(F)F)nc(NC3CCCCC3)c2cc1OC.
What is the InChIKey of N-cyclohexyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is XNECJSCBYLNSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O2/c1-24-13-8-11-12(9-14(13)25-2)22-16(17(18,19)20)23-15(11)21-10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,21,22,23).
What are the key properties of N-cyclohexyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine?
N-cyclohexyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 355.36 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 21003381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).