ethyl 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(4-methyl-1,3-oxazol-2-yl)amino]-2-ethyl-6,8-dimethyl-3,4-dihydro-2H-1,7-naphthyridine-1-carboxylate

C28H30F6N4O3 — CID 11657174

IUPACethyl 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(4-methyl-1,3-oxazol-2-yl)amino]-2-ethyl-6,8-dimethyl-3,4-dihydro-2H-1,7-naphthyridine-1-carboxylate
SMILESCCOC(=O)N1c2c(cc(C)nc2C)C(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nc(C)co2)CC1CC
InChIInChI=1S/C28H30F6N4O3/c1-6-21-12-23(22-8-15(3)35-17(5)24(22)38(21)26(39)40-7-2)37(25-36-16(4)14-41-25)13-18-9-19(27(29,30)31)11-20(10-18)28(32,33)34/h8-11,14,21,23H,6-7,12-13H2,1-5H3
InChIKeyHUKAVURQQDFRLR-UHFFFAOYSA-N
MW584.56 g/mol
LogP7.93
Rot. Bonds6

About ethyl 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(4-methyl-1,3-oxazol-2-yl)amino]-2-ethyl-6,8-dimethyl-3,4-dihydro-2H-1,7-naphthyridine-1-carboxylate

ethyl 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(4-methyl-1,3-oxazol-2-yl)amino]-2-ethyl-6,8-dimethyl-3,4-dihydro-2H-1,7-naphthyridine-1-carboxylate (PubChem CID 11657174) has the molecular formula C28H30F6N4O3 and a molecular weight of 584.56 g/mol. Its IUPAC name is ethyl 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(4-methyl-1,3-oxazol-2-yl)amino]-2-ethyl-6,8-dimethyl-3,4-dihydro-2H-1,7-naphthyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(4-methyl-1,3-oxazol-2-yl)amino]-2-ethyl-6,8-dimethyl-3,4-dihydro-2H-1,7-naphthyridine-1-carboxylate
PubChem CID11657174
Molecular FormulaC28H30F6N4O3
Molecular Weight584.56 g/mol
Exact Mass584.22
IUPAC Nameethyl 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(4-methyl-1,3-oxazol-2-yl)amino]-2-ethyl-6,8-dimethyl-3,4-dihydro-2H-1,7-naphthyridine-1-carboxylate
SMILESCCOC(=O)N1c2c(cc(C)nc2C)C(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nc(C)co2)CC1CC
InChIInChI=1S/C28H30F6N4O3/c1-6-21-12-23(22-8-15(3)35-17(5)24(22)38(21)26(39)40-7-2)37(25-36-16(4)14-41-25)13-18-9-19(27(29,30)31)11-20(10-18)28(32,33)34/h8-11,14,21,23H,6-7,12-13H2,1-5H3
InChIKeyHUKAVURQQDFRLR-UHFFFAOYSA-N
XLogP7.93
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.56
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(4-methyl-1,3-oxazol-2-yl)amino]-2-ethyl-6,8-dimethyl-3,4-dihydro-2H-1,7-naphthyridine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(4-methyl-1,3-oxazol-2-yl)amino]-2-ethyl-6,8-dimethyl-3,4-dihydro-2H-1,7-naphthyridine-1-carboxylate?
The IUPAC name of ethyl 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(4-methyl-1,3-oxazol-2-yl)amino]-2-ethyl-6,8-dimethyl-3,4-dihydro-2H-1,7-naphthyridine-1-carboxylate (CID 11657174) is ethyl 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(4-methyl-1,3-oxazol-2-yl)amino]-2-ethyl-6,8-dimethyl-3,4-dihydro-2H-1,7-naphthyridine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(4-methyl-1,3-oxazol-2-yl)amino]-2-ethyl-6,8-dimethyl-3,4-dihydro-2H-1,7-naphthyridine-1-carboxylate?
The canonical SMILES for ethyl 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(4-methyl-1,3-oxazol-2-yl)amino]-2-ethyl-6,8-dimethyl-3,4-dihydro-2H-1,7-naphthyridine-1-carboxylate is CCOC(=O)N1c2c(cc(C)nc2C)C(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nc(C)co2)CC1CC.
What is the InChIKey of ethyl 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(4-methyl-1,3-oxazol-2-yl)amino]-2-ethyl-6,8-dimethyl-3,4-dihydro-2H-1,7-naphthyridine-1-carboxylate?
The InChIKey is HUKAVURQQDFRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F6N4O3/c1-6-21-12-23(22-8-15(3)35-17(5)24(22)38(21)26(39)40-7-2)37(25-36-16(4)14-41-25)13-18-9-19(27(29,30)31)11-20(10-18)28(32,33)34/h8-11,14,21,23H,6-7,12-13H2,1-5H3.
What are the key properties of ethyl 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(4-methyl-1,3-oxazol-2-yl)amino]-2-ethyl-6,8-dimethyl-3,4-dihydro-2H-1,7-naphthyridine-1-carboxylate?
ethyl 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(4-methyl-1,3-oxazol-2-yl)amino]-2-ethyl-6,8-dimethyl-3,4-dihydro-2H-1,7-naphthyridine-1-carboxylate has a molecular weight of 584.56 g/mol, XLogP of 7.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(4-methyl-1,3-oxazol-2-yl)amino]-2-ethyl-6,8-dimethyl-3,4-dihydro-2H-1,7-naphthyridine-1-carboxylate is sourced from PubChem (CID 11657174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).