N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-[2-(trifluoromethoxy)phenyl]quinazolin-2-amine

C25H22F3N5O2 — CID 167049814

IUPACN-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-[2-(trifluoromethoxy)phenyl]quinazolin-2-amine
SMILESCOc1nc2c(cc1Nc1ncc3cccc(-c4ccccc4OC(F)(F)F)c3n1)CN(C)CC2
InChIInChI=1S/C25H22F3N5O2/c1-33-11-10-19-16(14-33)12-20(23(30-19)34-2)31-24-29-13-15-6-5-8-18(22(15)32-24)17-7-3-4-9-21(17)35-25(26,27)28/h3-9,12-13H,10-11,14H2,1-2H3,(H,29,31,32)
InChIKeyBUFIBYPRQHOORM-UHFFFAOYSA-N
MW481.48 g/mol
LogP5.33
Rot. Bonds5

About N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-[2-(trifluoromethoxy)phenyl]quinazolin-2-amine

N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-[2-(trifluoromethoxy)phenyl]quinazolin-2-amine (PubChem CID 167049814) has the molecular formula C25H22F3N5O2 and a molecular weight of 481.48 g/mol. Its IUPAC name is N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-[2-(trifluoromethoxy)phenyl]quinazolin-2-amine.

Molecular Properties

Compound NameN-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-[2-(trifluoromethoxy)phenyl]quinazolin-2-amine
PubChem CID167049814
Molecular FormulaC25H22F3N5O2
Molecular Weight481.48 g/mol
Exact Mass481.17
IUPAC NameN-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-[2-(trifluoromethoxy)phenyl]quinazolin-2-amine
SMILESCOc1nc2c(cc1Nc1ncc3cccc(-c4ccccc4OC(F)(F)F)c3n1)CN(C)CC2
InChIInChI=1S/C25H22F3N5O2/c1-33-11-10-19-16(14-33)12-20(23(30-19)34-2)31-24-29-13-15-6-5-8-18(22(15)32-24)17-7-3-4-9-21(17)35-25(26,27)28/h3-9,12-13H,10-11,14H2,1-2H3,(H,29,31,32)
InChIKeyBUFIBYPRQHOORM-UHFFFAOYSA-N
XLogP5.33
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.48
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-[2-(trifluoromethoxy)phenyl]quinazolin-2-amine?
The IUPAC name of N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-[2-(trifluoromethoxy)phenyl]quinazolin-2-amine (CID 167049814) is N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-[2-(trifluoromethoxy)phenyl]quinazolin-2-amine.
What is the SMILES notation for N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-[2-(trifluoromethoxy)phenyl]quinazolin-2-amine?
The canonical SMILES for N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-[2-(trifluoromethoxy)phenyl]quinazolin-2-amine is COc1nc2c(cc1Nc1ncc3cccc(-c4ccccc4OC(F)(F)F)c3n1)CN(C)CC2.
What is the InChIKey of N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-[2-(trifluoromethoxy)phenyl]quinazolin-2-amine?
The InChIKey is BUFIBYPRQHOORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O2/c1-33-11-10-19-16(14-33)12-20(23(30-19)34-2)31-24-29-13-15-6-5-8-18(22(15)32-24)17-7-3-4-9-21(17)35-25(26,27)28/h3-9,12-13H,10-11,14H2,1-2H3,(H,29,31,32).
What are the key properties of N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-[2-(trifluoromethoxy)phenyl]quinazolin-2-amine?
N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-[2-(trifluoromethoxy)phenyl]quinazolin-2-amine has a molecular weight of 481.48 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-8-[2-(trifluoromethoxy)phenyl]quinazolin-2-amine is sourced from PubChem (CID 167049814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).