ethyl 6-ethoxy-4-(4-methylpiperazin-1-yl)quinoline-3-carboxylate;hydrochloride

C19H26ClN3O3 — CID 6603675

IUPACethyl 6-ethoxy-4-(4-methylpiperazin-1-yl)quinoline-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1cnc2ccc(OCC)cc2c1N1CCN(C)CC1.Cl
InChIInChI=1S/C19H25N3O3.ClH/c1-4-24-14-6-7-17-15(12-14)18(22-10-8-21(3)9-11-22)16(13-20-17)19(23)25-5-2;/h6-7,12-13H,4-5,8-11H2,1-3H3;1H
InChIKeyAZAQICUEZISURE-UHFFFAOYSA-N
MW379.89 g/mol
LogP2.98
Rot. Bonds5

About ethyl 6-ethoxy-4-(4-methylpiperazin-1-yl)quinoline-3-carboxylate;hydrochloride

ethyl 6-ethoxy-4-(4-methylpiperazin-1-yl)quinoline-3-carboxylate;hydrochloride (PubChem CID 6603675) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is ethyl 6-ethoxy-4-(4-methylpiperazin-1-yl)quinoline-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 6-ethoxy-4-(4-methylpiperazin-1-yl)quinoline-3-carboxylate;hydrochloride
PubChem CID6603675
Molecular FormulaC19H26ClN3O3
Molecular Weight379.89 g/mol
Exact Mass379.17
IUPAC Nameethyl 6-ethoxy-4-(4-methylpiperazin-1-yl)quinoline-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1cnc2ccc(OCC)cc2c1N1CCN(C)CC1.Cl
InChIInChI=1S/C19H25N3O3.ClH/c1-4-24-14-6-7-17-15(12-14)18(22-10-8-21(3)9-11-22)16(13-20-17)19(23)25-5-2;/h6-7,12-13H,4-5,8-11H2,1-3H3;1H
InChIKeyAZAQICUEZISURE-UHFFFAOYSA-N
XLogP2.98
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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 4-(furan-2-ylmethylamino)quinoline-3-carboxylate
CID 709114
5-Methoxy-9H-quinolino[4,3,2-de][1,10]phenanthrolin-9-one
CID 388732
(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
Quinostatin
CID 6620134
4-anilino-7-methoxy-N-methyl-6-[(4-methylpiperazin-1-yl)methoxy]quinoline-3-carboxamide
CID 162661735
Ethyl 4-[benzyl(methyl)amino]-6-methylquinoline-3-carboxylate
CID 696527
Ethyl 6-methoxy-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-3-carboxylate
CID 1272562
4-(2,3-Dihydro-benzo[1,4]dioxin-6-ylamino)-quinoline-3,6-dicarboxylic acid 3-ethyl ester 6-methyl ester
CID 1162380

Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethoxy-4-(4-methylpiperazin-1-yl)quinoline-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 6-ethoxy-4-(4-methylpiperazin-1-yl)quinoline-3-carboxylate;hydrochloride (CID 6603675) is ethyl 6-ethoxy-4-(4-methylpiperazin-1-yl)quinoline-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 6-ethoxy-4-(4-methylpiperazin-1-yl)quinoline-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 6-ethoxy-4-(4-methylpiperazin-1-yl)quinoline-3-carboxylate;hydrochloride is CCOC(=O)c1cnc2ccc(OCC)cc2c1N1CCN(C)CC1.Cl.
What is the InChIKey of ethyl 6-ethoxy-4-(4-methylpiperazin-1-yl)quinoline-3-carboxylate;hydrochloride?
The InChIKey is AZAQICUEZISURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3.ClH/c1-4-24-14-6-7-17-15(12-14)18(22-10-8-21(3)9-11-22)16(13-20-17)19(23)25-5-2;/h6-7,12-13H,4-5,8-11H2,1-3H3;1H.
What are the key properties of ethyl 6-ethoxy-4-(4-methylpiperazin-1-yl)quinoline-3-carboxylate;hydrochloride?
ethyl 6-ethoxy-4-(4-methylpiperazin-1-yl)quinoline-3-carboxylate;hydrochloride has a molecular weight of 379.89 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethoxy-4-(4-methylpiperazin-1-yl)quinoline-3-carboxylate;hydrochloride is sourced from PubChem (CID 6603675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).