ethyl [2-methyl-5-phenylmethoxy-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridin-3-yl] carbonate

C26H23F3N2O4 — CID 70382390

IUPACethyl [2-methyl-5-phenylmethoxy-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridin-3-yl] carbonate
SMILESCCOC(=O)OC1=C(C)Nc2ccnc(OCc3ccccc3)c2C1c1ccccc1C(F)(F)F
InChIInChI=1S/C26H23F3N2O4/c1-3-33-25(32)35-23-16(2)31-20-13-14-30-24(34-15-17-9-5-4-6-10-17)22(20)21(23)18-11-7-8-12-19(18)26(27,28)29/h4-14,21,31H,3,15H2,1-2H3
InChIKeyMVNSUHHTQSOUAD-UHFFFAOYSA-N
MW484.47 g/mol
LogP6.64
Rot. Bonds6

About ethyl [2-methyl-5-phenylmethoxy-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridin-3-yl] carbonate

ethyl [2-methyl-5-phenylmethoxy-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridin-3-yl] carbonate (PubChem CID 70382390) has the molecular formula C26H23F3N2O4 and a molecular weight of 484.47 g/mol. Its IUPAC name is ethyl [2-methyl-5-phenylmethoxy-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridin-3-yl] carbonate.

Molecular Properties

Compound Nameethyl [2-methyl-5-phenylmethoxy-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridin-3-yl] carbonate
PubChem CID70382390
Molecular FormulaC26H23F3N2O4
Molecular Weight484.47 g/mol
Exact Mass484.16
IUPAC Nameethyl [2-methyl-5-phenylmethoxy-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridin-3-yl] carbonate
SMILESCCOC(=O)OC1=C(C)Nc2ccnc(OCc3ccccc3)c2C1c1ccccc1C(F)(F)F
InChIInChI=1S/C26H23F3N2O4/c1-3-33-25(32)35-23-16(2)31-20-13-14-30-24(34-15-17-9-5-4-6-10-17)22(20)21(23)18-11-7-8-12-19(18)26(27,28)29/h4-14,21,31H,3,15H2,1-2H3
InChIKeyMVNSUHHTQSOUAD-UHFFFAOYSA-N
XLogP6.64
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.47
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl [2-methyl-5-phenylmethoxy-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridin-3-yl] carbonate with MolForge

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Related Compounds

[3-ethoxycarbonyloxy-2-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6-dihydro-1H-1,6-naphthyridin-8-yl] ethyl carbonate
CID 70474386
[5-carboxyoxy-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridin-3-yl] hydrogen carbonate
CID 23182937
(5-carboxyoxy-2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridin-3-yl) ethyl carbonate
CID 70570530
diethyl 2-methyl-6-(phenylmethoxycarbonylamino)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
CID 13393047
2-[[2,6-dimethyl-5-propan-2-yloxycarbonyloxy-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridin-3-yl]oxycarbonyloxy]ethyl benzoate
CID 70598897
benzyl 2-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 3106002
[2,6-dimethyl-5-(2-nitrooxyethoxycarbonyloxy)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridin-3-yl] methyl carbonate
CID 70471553
[2,6-dimethyl-4-(2-phenylmethoxyphenyl)-5-(pyridin-2-ylcarbamoyloxy)-1,4-dihydropyridin-3-yl] methyl carbonate
CID 70411433
[5-carboxyoxy-2,6-dimethyl-4-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-1,4-dihydropyridin-3-yl] hydrogen carbonate
CID 70449561
[5-benzoyl-2-methyl-6-phenyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridin-3-yl] hydrogen carbonate
CID 70571986
[2,6-dimethyl-4-(2-phenylmethoxyphenyl)-5-(2-pyridin-4-ylethylcarbamoyloxy)-1,4-dihydropyridin-3-yl] methyl carbonate
CID 70411917
ethyl 3-[[5-methoxycarbonyloxy-2,6-dimethyl-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridin-3-yl]oxycarbonylamino]propanoate
CID 70411252

Frequently Asked Questions

What is the IUPAC name of ethyl [2-methyl-5-phenylmethoxy-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridin-3-yl] carbonate?
The IUPAC name of ethyl [2-methyl-5-phenylmethoxy-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridin-3-yl] carbonate (CID 70382390) is ethyl [2-methyl-5-phenylmethoxy-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridin-3-yl] carbonate.
What is the SMILES notation for ethyl [2-methyl-5-phenylmethoxy-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridin-3-yl] carbonate?
The canonical SMILES for ethyl [2-methyl-5-phenylmethoxy-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridin-3-yl] carbonate is CCOC(=O)OC1=C(C)Nc2ccnc(OCc3ccccc3)c2C1c1ccccc1C(F)(F)F.
What is the InChIKey of ethyl [2-methyl-5-phenylmethoxy-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridin-3-yl] carbonate?
The InChIKey is MVNSUHHTQSOUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N2O4/c1-3-33-25(32)35-23-16(2)31-20-13-14-30-24(34-15-17-9-5-4-6-10-17)22(20)21(23)18-11-7-8-12-19(18)26(27,28)29/h4-14,21,31H,3,15H2,1-2H3.
What are the key properties of ethyl [2-methyl-5-phenylmethoxy-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridin-3-yl] carbonate?
ethyl [2-methyl-5-phenylmethoxy-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridin-3-yl] carbonate has a molecular weight of 484.47 g/mol, XLogP of 6.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [2-methyl-5-phenylmethoxy-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridin-3-yl] carbonate is sourced from PubChem (CID 70382390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).