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

C27H28F2N4O2 — CID 156895131

IUPACethyl 8-[7-(difluoromethyl)-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,7-naphthyridine-6-carboxylate
SMILESCCOC(=O)c1cc2cccnc2c(N2CCCc3cc(C4=CCN(C)CC4)c(C(F)F)cc32)n1
InChIInChI=1S/C27H28F2N4O2/c1-3-35-27(34)22-15-19-6-4-10-30-24(19)26(31-22)33-11-5-7-18-14-20(17-8-12-32(2)13-9-17)21(25(28)29)16-23(18)33/h4,6,8,10,14-16,25H,3,5,7,9,11-13H2,1-2H3
InChIKeyXAPJEZKBCUQBDF-UHFFFAOYSA-N
MW478.54 g/mol
LogP5.55
Rot. Bonds5

About ethyl 8-[7-(difluoromethyl)-6-(1-methyl-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-methyl-3,6-dihydro-2H-pyridin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,7-naphthyridine-6-carboxylate (PubChem CID 156895131) has the molecular formula C27H28F2N4O2 and a molecular weight of 478.54 g/mol. Its IUPAC name is ethyl 8-[7-(difluoromethyl)-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,7-naphthyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 8-[7-(difluoromethyl)-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,7-naphthyridine-6-carboxylate
PubChem CID156895131
Molecular FormulaC27H28F2N4O2
Molecular Weight478.54 g/mol
Exact Mass478.22
IUPAC Nameethyl 8-[7-(difluoromethyl)-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,7-naphthyridine-6-carboxylate
SMILESCCOC(=O)c1cc2cccnc2c(N2CCCc3cc(C4=CCN(C)CC4)c(C(F)F)cc32)n1
InChIInChI=1S/C27H28F2N4O2/c1-3-35-27(34)22-15-19-6-4-10-30-24(19)26(31-22)33-11-5-7-18-14-20(17-8-12-32(2)13-9-17)21(25(28)29)16-23(18)33/h4,6,8,10,14-16,25H,3,5,7,9,11-13H2,1-2H3
InChIKeyXAPJEZKBCUQBDF-UHFFFAOYSA-N
XLogP5.55
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.54
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 8-[7-(difluoromethyl)-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,7-naphthyridine-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-[7-(difluoromethyl)-6-(1-methyl-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-methyl-3,6-dihydro-2H-pyridin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,7-naphthyridine-6-carboxylate (CID 156895131) is ethyl 8-[7-(difluoromethyl)-6-(1-methyl-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-methyl-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-methyl-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)CC4)c(C(F)F)cc32)n1.
What is the InChIKey of ethyl 8-[7-(difluoromethyl)-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,7-naphthyridine-6-carboxylate?
The InChIKey is XAPJEZKBCUQBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N4O2/c1-3-35-27(34)22-15-19-6-4-10-30-24(19)26(31-22)33-11-5-7-18-14-20(17-8-12-32(2)13-9-17)21(25(28)29)16-23(18)33/h4,6,8,10,14-16,25H,3,5,7,9,11-13H2,1-2H3.
What are the key properties of ethyl 8-[7-(difluoromethyl)-6-(1-methyl-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-methyl-3,6-dihydro-2H-pyridin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,7-naphthyridine-6-carboxylate has a molecular weight of 478.54 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-[7-(difluoromethyl)-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,7-naphthyridine-6-carboxylate is sourced from PubChem (CID 156895131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).