ethyl 8-methoxy-4-[1-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-4-yl]quinoline-3-carboxylate

C25H26N2O4 — CID 162669788

IUPACethyl 8-methoxy-4-[1-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-4-yl]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OC)cccc2c1C1=CCN(c2ccccc2OC)CC1
InChIInChI=1S/C25H26N2O4/c1-4-31-25(28)19-16-26-24-18(8-7-11-22(24)30-3)23(19)17-12-14-27(15-13-17)20-9-5-6-10-21(20)29-2/h5-12,16H,4,13-15H2,1-3H3
InChIKeyXHZJTDVZLGYQEZ-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.72
Rot. Bonds6

About ethyl 8-methoxy-4-[1-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-4-yl]quinoline-3-carboxylate

ethyl 8-methoxy-4-[1-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-4-yl]quinoline-3-carboxylate (PubChem CID 162669788) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is ethyl 8-methoxy-4-[1-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-4-yl]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-methoxy-4-[1-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-4-yl]quinoline-3-carboxylate
PubChem CID162669788
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Nameethyl 8-methoxy-4-[1-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-4-yl]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OC)cccc2c1C1=CCN(c2ccccc2OC)CC1
InChIInChI=1S/C25H26N2O4/c1-4-31-25(28)19-16-26-24-18(8-7-11-22(24)30-3)23(19)17-12-14-27(15-13-17)20-9-5-6-10-21(20)29-2/h5-12,16H,4,13-15H2,1-3H3
InChIKeyXHZJTDVZLGYQEZ-UHFFFAOYSA-N
XLogP4.72
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 8-methoxy-4-[1-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-4-yl]quinoline-3-carboxylate with MolForge

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Related Compounds

ethyl 4-[4-(2-ethoxyphenyl)piperazin-1-yl]-8-methoxyquinoline-3-carboxylate
CID 162649213
ethyl 8-methoxy-4-[4-(2-methylphenyl)piperazin-1-yl]quinoline-3-carboxylate
CID 162647102
ethyl 8-methoxy-4-[4-(2-methoxyphenyl)phenyl]quinoline-3-carboxylate
CID 162662540
ethyl 6-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylate
CID 31537153
ethyl 8-methoxy-4-(2-methoxyanilino)quinoline-3-carboxylate;hydrochloride
CID 13038443
ethyl 8-methoxy-4-(naphthalen-1-ylamino)quinoline-3-carboxylate
CID 1190582
ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate
CID 13038439
ethyl 8-methoxy-4-[4-(4-nitrophenyl)piperazin-1-yl]quinoline-3-carboxylate
CID 46498764
ethyl 7-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[3,2-b]pyridine-6-carboxylate
CID 162661401
ethyl 4-[[(2R)-2-hydroxypropyl]amino]-8-methoxyquinoline-3-carboxylate
CID 708704
ethyl 8-methoxy-4-(1-phenylethylamino)quinoline-3-carboxylate;hydrate
CID 20529010
ethyl 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-methylpyrimidine-5-carboxylate
CID 75400034

Frequently Asked Questions

What is the IUPAC name of ethyl 8-methoxy-4-[1-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-4-yl]quinoline-3-carboxylate?
The IUPAC name of ethyl 8-methoxy-4-[1-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-4-yl]quinoline-3-carboxylate (CID 162669788) is ethyl 8-methoxy-4-[1-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-4-yl]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 8-methoxy-4-[1-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-4-yl]quinoline-3-carboxylate?
The canonical SMILES for ethyl 8-methoxy-4-[1-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-4-yl]quinoline-3-carboxylate is CCOC(=O)c1cnc2c(OC)cccc2c1C1=CCN(c2ccccc2OC)CC1.
What is the InChIKey of ethyl 8-methoxy-4-[1-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-4-yl]quinoline-3-carboxylate?
The InChIKey is XHZJTDVZLGYQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-4-31-25(28)19-16-26-24-18(8-7-11-22(24)30-3)23(19)17-12-14-27(15-13-17)20-9-5-6-10-21(20)29-2/h5-12,16H,4,13-15H2,1-3H3.
What are the key properties of ethyl 8-methoxy-4-[1-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-4-yl]quinoline-3-carboxylate?
ethyl 8-methoxy-4-[1-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-4-yl]quinoline-3-carboxylate has a molecular weight of 418.49 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-methoxy-4-[1-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-4-yl]quinoline-3-carboxylate is sourced from PubChem (CID 162669788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).