ethyl 6-ethoxy-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylate;hydrochloride

C20H22ClN3O3 — CID 12005626

IUPACethyl 6-ethoxy-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1cnc2ccc(OCC)cc2c1NCc1cccnc1.Cl
InChIInChI=1S/C20H21N3O3.ClH/c1-3-25-15-7-8-18-16(10-15)19(17(13-22-18)20(24)26-4-2)23-12-14-6-5-9-21-11-14;/h5-11,13H,3-4,12H2,1-2H3,(H,22,23);1H
InChIKeyUERNJMULYSEAOV-UHFFFAOYSA-N
MW387.87 g/mol
LogP4.24
Rot. Bonds7

About ethyl 6-ethoxy-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylate;hydrochloride

ethyl 6-ethoxy-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylate;hydrochloride (PubChem CID 12005626) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is ethyl 6-ethoxy-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 6-ethoxy-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylate;hydrochloride
PubChem CID12005626
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Nameethyl 6-ethoxy-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1cnc2ccc(OCC)cc2c1NCc1cccnc1.Cl
InChIInChI=1S/C20H21N3O3.ClH/c1-3-25-15-7-8-18-16(10-15)19(17(13-22-18)20(24)26-4-2)23-12-14-6-5-9-21-11-14;/h5-11,13H,3-4,12H2,1-2H3,(H,22,23);1H
InChIKeyUERNJMULYSEAOV-UHFFFAOYSA-N
XLogP4.24
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 4-chloro-6-methoxyquinoline-3-carboxylate
CID 304558
Viquidil
CID 65753
3-Butyryl-4-(2-methylphenylamino)-8-methoxyquinoline
CID 3081087
1-[8-(2-Hydroxy-ethoxy)-4-o-tolylamino-quinolin-3-yl]-butan-1-one
CID 9887258
Ethyl 6-methoxy-2-methylquinoline-3-carboxylate
CID 618636
Ethyl 6-methoxy-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-3-carboxylate
CID 1272562
Ethyl 4-(furan-2-ylmethylamino)quinoline-3-carboxylate
CID 709114
(2,2,4-trimethyl-1H-quinolin-6-yl) pyridine-3-carboxylate
CID 2904443
Ethyl 1-[6-ethoxy-3-(4-methylbenzoyl)quinolin-4-yl]piperidine-3-carboxylate
CID 16010859
Ethyl 4-amino-6-methoxyquinoline-3-carboxylate
CID 16644472
Bis(1H-2-indolyl)methanone deriv. 72
CID 5330566
Ethyl 4-[(3-bromophenyl)amino]-6,7-dimethoxyquinoline-3-carboxylate
CID 5328837

Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethoxy-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 6-ethoxy-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylate;hydrochloride (CID 12005626) is ethyl 6-ethoxy-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 6-ethoxy-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 6-ethoxy-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylate;hydrochloride is CCOC(=O)c1cnc2ccc(OCC)cc2c1NCc1cccnc1.Cl.
What is the InChIKey of ethyl 6-ethoxy-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylate;hydrochloride?
The InChIKey is UERNJMULYSEAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3.ClH/c1-3-25-15-7-8-18-16(10-15)19(17(13-22-18)20(24)26-4-2)23-12-14-6-5-9-21-11-14;/h5-11,13H,3-4,12H2,1-2H3,(H,22,23);1H.
What are the key properties of ethyl 6-ethoxy-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylate;hydrochloride?
ethyl 6-ethoxy-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylate;hydrochloride has a molecular weight of 387.87 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethoxy-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylate;hydrochloride is sourced from PubChem (CID 12005626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).