ethyl 4-[3-(1-hydroxyethyl)piperidin-1-yl]-6-methoxyquinoline-3-carboxylate

C20H26N2O4 — CID 133397813

IUPACethyl 4-[3-(1-hydroxyethyl)piperidin-1-yl]-6-methoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OC)cc2c1N1CCCC(C(C)O)C1
InChIInChI=1S/C20H26N2O4/c1-4-26-20(24)17-11-21-18-8-7-15(25-3)10-16(18)19(17)22-9-5-6-14(12-22)13(2)23/h7-8,10-11,13-14,23H,4-6,9,12H2,1-3H3
InChIKeyILYZBUDQKIZAGW-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.02
Rot. Bonds5

About ethyl 4-[3-(1-hydroxyethyl)piperidin-1-yl]-6-methoxyquinoline-3-carboxylate

ethyl 4-[3-(1-hydroxyethyl)piperidin-1-yl]-6-methoxyquinoline-3-carboxylate (PubChem CID 133397813) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is ethyl 4-[3-(1-hydroxyethyl)piperidin-1-yl]-6-methoxyquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(1-hydroxyethyl)piperidin-1-yl]-6-methoxyquinoline-3-carboxylate
PubChem CID133397813
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Nameethyl 4-[3-(1-hydroxyethyl)piperidin-1-yl]-6-methoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OC)cc2c1N1CCCC(C(C)O)C1
InChIInChI=1S/C20H26N2O4/c1-4-26-20(24)17-11-21-18-8-7-15(25-3)10-16(18)19(17)22-9-5-6-14(12-22)13(2)23/h7-8,10-11,13-14,23H,4-6,9,12H2,1-3H3
InChIKeyILYZBUDQKIZAGW-UHFFFAOYSA-N
XLogP3.02
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[3-(1-hydroxyethyl)piperidin-1-yl]-6-methoxyquinoline-3-carboxylate with MolForge

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Related Compounds

Ethyl 4-chloro-6-methoxyquinoline-3-carboxylate
CID 304558
Ethyl 6-methoxy-2-methylquinoline-3-carboxylate
CID 618636
Ethyl 6-methoxy-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-3-carboxylate
CID 1272562
Rpr260243
CID 11466357
Ethyl 1-[6-ethoxy-3-(4-methylbenzoyl)quinolin-4-yl]piperidine-3-carboxylate
CID 16010859
Ethyl 4-amino-6-methoxyquinoline-3-carboxylate
CID 16644472
6-Ethoxy-4-(3-morpholin-4-yl-propylamino)-quinoline-3-carboxylic acid ethyl ester
CID 16804582
4-(2,3-Dihydro-benzo[1,4]dioxin-6-ylamino)-quinoline-3,6-dicarboxylic acid 3-ethyl ester 6-methyl ester
CID 1162380
Ethyl 4-[(3,4-dimethoxyphenyl)amino]-6,8-dimethylquinoline-3-carboxylate
CID 1187221
1-[8-Hydroxymethyl-4-(4-hydroxy-2-methyl-phenylamino)-quinolin-3-yl]-butan-1-one
CID 10089242
3-Butyryl-4-(4-hydroxy-2-methylphenylamino)-8-(1-hydroxyethyl)quinoline
CID 10090183
1-[8-Hydroxymethyl-4-(4-hydroxy-2-methyl-phenylamino)-quinolin-3-yl]-2-methyl-propan-1-one
CID 10337944

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(1-hydroxyethyl)piperidin-1-yl]-6-methoxyquinoline-3-carboxylate?
The IUPAC name of ethyl 4-[3-(1-hydroxyethyl)piperidin-1-yl]-6-methoxyquinoline-3-carboxylate (CID 133397813) is ethyl 4-[3-(1-hydroxyethyl)piperidin-1-yl]-6-methoxyquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-[3-(1-hydroxyethyl)piperidin-1-yl]-6-methoxyquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-[3-(1-hydroxyethyl)piperidin-1-yl]-6-methoxyquinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(OC)cc2c1N1CCCC(C(C)O)C1.
What is the InChIKey of ethyl 4-[3-(1-hydroxyethyl)piperidin-1-yl]-6-methoxyquinoline-3-carboxylate?
The InChIKey is ILYZBUDQKIZAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-4-26-20(24)17-11-21-18-8-7-15(25-3)10-16(18)19(17)22-9-5-6-14(12-22)13(2)23/h7-8,10-11,13-14,23H,4-6,9,12H2,1-3H3.
What are the key properties of ethyl 4-[3-(1-hydroxyethyl)piperidin-1-yl]-6-methoxyquinoline-3-carboxylate?
ethyl 4-[3-(1-hydroxyethyl)piperidin-1-yl]-6-methoxyquinoline-3-carboxylate has a molecular weight of 358.44 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(1-hydroxyethyl)piperidin-1-yl]-6-methoxyquinoline-3-carboxylate is sourced from PubChem (CID 133397813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).