ethyl 4-anilino-8-(dimethylamino)quinoline-3-carboxylate;hydrochloride

C20H22ClN3O2 — CID 13038524

IUPACethyl 4-anilino-8-(dimethylamino)quinoline-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1cnc2c(N(C)C)cccc2c1Nc1ccccc1.Cl
InChIInChI=1S/C20H21N3O2.ClH/c1-4-25-20(24)16-13-21-19-15(11-8-12-17(19)23(2)3)18(16)22-14-9-6-5-7-10-14;/h5-13H,4H2,1-3H3,(H,21,22);1H
InChIKeySSGZZDSQOCMZNK-UHFFFAOYSA-N
MW371.87 g/mol
LogP4.64
Rot. Bonds5

About ethyl 4-anilino-8-(dimethylamino)quinoline-3-carboxylate;hydrochloride

ethyl 4-anilino-8-(dimethylamino)quinoline-3-carboxylate;hydrochloride (PubChem CID 13038524) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is ethyl 4-anilino-8-(dimethylamino)quinoline-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-anilino-8-(dimethylamino)quinoline-3-carboxylate;hydrochloride
PubChem CID13038524
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Nameethyl 4-anilino-8-(dimethylamino)quinoline-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1cnc2c(N(C)C)cccc2c1Nc1ccccc1.Cl
InChIInChI=1S/C20H21N3O2.ClH/c1-4-25-20(24)16-13-21-19-15(11-8-12-17(19)23(2)3)18(16)22-14-9-6-5-7-10-14;/h5-13H,4H2,1-3H3,(H,21,22);1H
InChIKeySSGZZDSQOCMZNK-UHFFFAOYSA-N
XLogP4.64
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-anilino-8-chloroquinoline-3-carboxylate
CID 728783
ethyl 4-(4-hydroxyanilino)-8-methylquinoline-3-carboxylate;hydrochloride
CID 2790966
ethyl 4-(3-hydroxyanilino)-8-methylquinoline-3-carboxylate
CID 700745
ethyl 8-chloro-4-(4-methylanilino)quinoline-3-carboxylate
CID 709130
4-(4-acetylanilino)-3-ethoxycarbonylquinoline-8-carboxylic acid
CID 1179442
ethyl 4-(3-hydroxyanilino)-6,8-dimethylquinoline-3-carboxylate;hydrochloride
CID 2790780
ethyl 8-chloro-4-(4-ethoxyanilino)quinoline-3-carboxylate
CID 1181319
3-O-ethyl 8-O-methyl 4-(4-hydroxyanilino)quinoline-3,8-dicarboxylate
CID 1191451
ethyl 4-(3-ethoxycarbonylanilino)-8-ethylquinoline-3-carboxylate
CID 23734415
ethyl 1-anilinoisoquinoline-4-carboxylate
CID 46358338
ethyl 8-cyano-4-(4-ethoxycarbonylanilino)quinoline-3-carboxylate
CID 17016669
3-[(3-ethoxycarbonylbenzo[h]quinolin-4-yl)amino]benzoate
CID 3413955

Frequently Asked Questions

What is the IUPAC name of ethyl 4-anilino-8-(dimethylamino)quinoline-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-anilino-8-(dimethylamino)quinoline-3-carboxylate;hydrochloride (CID 13038524) is ethyl 4-anilino-8-(dimethylamino)quinoline-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-anilino-8-(dimethylamino)quinoline-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-anilino-8-(dimethylamino)quinoline-3-carboxylate;hydrochloride is CCOC(=O)c1cnc2c(N(C)C)cccc2c1Nc1ccccc1.Cl.
What is the InChIKey of ethyl 4-anilino-8-(dimethylamino)quinoline-3-carboxylate;hydrochloride?
The InChIKey is SSGZZDSQOCMZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2.ClH/c1-4-25-20(24)16-13-21-19-15(11-8-12-17(19)23(2)3)18(16)22-14-9-6-5-7-10-14;/h5-13H,4H2,1-3H3,(H,21,22);1H.
What are the key properties of ethyl 4-anilino-8-(dimethylamino)quinoline-3-carboxylate;hydrochloride?
ethyl 4-anilino-8-(dimethylamino)quinoline-3-carboxylate;hydrochloride has a molecular weight of 371.87 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-anilino-8-(dimethylamino)quinoline-3-carboxylate;hydrochloride is sourced from PubChem (CID 13038524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).