ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)quinoline-3-carboxylate

C26H30N2O6 — CID 19032367

IUPACethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)quinoline-3-carboxylate
SMILESCCOC(=O)c1c(CN2CCOCC2)nc2cc(OC)c(OC)cc2c1-c1ccc(OC)cc1
InChIInChI=1S/C26H30N2O6/c1-5-34-26(29)25-21(16-28-10-12-33-13-11-28)27-20-15-23(32-4)22(31-3)14-19(20)24(25)17-6-8-18(30-2)9-7-17/h6-9,14-15H,5,10-13,16H2,1-4H3
InChIKeyLSWBMPZNHDZPFI-UHFFFAOYSA-N
MW466.53 g/mol
LogP3.94
Rot. Bonds8

About ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)quinoline-3-carboxylate

ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)quinoline-3-carboxylate (PubChem CID 19032367) has the molecular formula C26H30N2O6 and a molecular weight of 466.53 g/mol. Its IUPAC name is ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)quinoline-3-carboxylate
PubChem CID19032367
Molecular FormulaC26H30N2O6
Molecular Weight466.53 g/mol
Exact Mass466.21
IUPAC Nameethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)quinoline-3-carboxylate
SMILESCCOC(=O)c1c(CN2CCOCC2)nc2cc(OC)c(OC)cc2c1-c1ccc(OC)cc1
InChIInChI=1S/C26H30N2O6/c1-5-34-26(29)25-21(16-28-10-12-33-13-11-28)27-20-15-23(32-4)22(31-3)14-19(20)24(25)17-6-8-18(30-2)9-7-17/h6-9,14-15H,5,10-13,16H2,1-4H3
InChIKeyLSWBMPZNHDZPFI-UHFFFAOYSA-N
XLogP3.94
TPSA79.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)quinoline-3-carboxylate?
The IUPAC name of ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)quinoline-3-carboxylate (CID 19032367) is ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)quinoline-3-carboxylate?
The canonical SMILES for ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)quinoline-3-carboxylate is CCOC(=O)c1c(CN2CCOCC2)nc2cc(OC)c(OC)cc2c1-c1ccc(OC)cc1.
What is the InChIKey of ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)quinoline-3-carboxylate?
The InChIKey is LSWBMPZNHDZPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O6/c1-5-34-26(29)25-21(16-28-10-12-33-13-11-28)27-20-15-23(32-4)22(31-3)14-19(20)24(25)17-6-8-18(30-2)9-7-17/h6-9,14-15H,5,10-13,16H2,1-4H3.
What are the key properties of ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)quinoline-3-carboxylate?
ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)quinoline-3-carboxylate has a molecular weight of 466.53 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)quinoline-3-carboxylate is sourced from PubChem (CID 19032367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).