ethyl 8-[7-(difluoromethyl)-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-1,7-naphthyridine-6-carboxylate

C31H34F2N4O4 — CID 156895119

About ethyl 8-[7-(difluoromethyl)-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-1,7-naphthyridine-6-carboxylate

ethyl 8-[7-(difluoromethyl)-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-1,7-naphthyridine-6-carboxylate (PubChem CID 156895119) has the molecular formula C31H34F2N4O4 and a molecular weight of 564.63 g/mol. Its IUPAC name is ethyl 8-[7-(difluoromethyl)-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-1,7-naphthyridine-6-carboxylate.

Molecular Properties

• Compound Name: ethyl 8-[7-(difluoromethyl)-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-1,7-naphthyridine-6-carboxylate
• PubChem CID: 156895119
• Molecular Formula: C31H34F2N4O4
• Molecular Weight: 564.63 g/mol
• Exact Mass: 564.25
• IUPAC Name: ethyl 8-[7-(difluoromethyl)-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-1,7-naphthyridine-6-carboxylate
• SMILES: CCOC(=O)c1cc2cccnc2c(N2CCCc3cc(C4=CCN(C(=O)OC(C)(C)C)CC4)c(C(F)F)cc32)n1
• InChI: InChI=1S/C31H34F2N4O4/c1-5-40-29(38)24-17-21-8-6-12-34-26(21)28(35-24)37-13-7-9-20-16-22(23(27(32)33)18-25(20)37)19-10-14-36(15-11-19)30(39)41-31(2,3)4/h6,8,10,12,16-18,27H,5,7,9,11,13-15H2,1-4H3
• InChIKey: XLCAQOKZJOMHEW-UHFFFAOYSA-N
• XLogP: 6.85
• TPSA: 84.86 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.63
LogP ≤ 5	6.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl 8-[7-(difluoromethyl)-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-1,7-naphthyridine-6-carboxylate?

The IUPAC name of ethyl 8-[7-(difluoromethyl)-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-1,7-naphthyridine-6-carboxylate (CID 156895119) is ethyl 8-[7-(difluoromethyl)-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-1,7-naphthyridine-6-carboxylate.

What is the SMILES notation for ethyl 8-[7-(difluoromethyl)-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-1,7-naphthyridine-6-carboxylate?

The canonical SMILES for ethyl 8-[7-(difluoromethyl)-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-1,7-naphthyridine-6-carboxylate is CCOC(=O)c1cc2cccnc2c(N2CCCc3cc(C4=CCN(C(=O)OC(C)(C)C)CC4)c(C(F)F)cc32)n1.

What is the InChIKey of ethyl 8-[7-(difluoromethyl)-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-1,7-naphthyridine-6-carboxylate?

The InChIKey is XLCAQOKZJOMHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34F2N4O4/c1-5-40-29(38)24-17-21-8-6-12-34-26(21)28(35-24)37-13-7-9-20-16-22(23(27(32)33)18-25(20)37)19-10-14-36(15-11-19)30(39)41-31(2,3)4/h6,8,10,12,16-18,27H,5,7,9,11,13-15H2,1-4H3.

What are the key properties of ethyl 8-[7-(difluoromethyl)-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-1,7-naphthyridine-6-carboxylate?

ethyl 8-[7-(difluoromethyl)-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-1,7-naphthyridine-6-carboxylate has a molecular weight of 564.63 g/mol, XLogP of 6.85, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 8-[7-(difluoromethyl)-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-1,7-naphthyridine-6-carboxylate is sourced from PubChem (CID 156895119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).