ethyl 8-amino-4-[(2-methoxyphenyl)methylamino]quinoline-3-carboxylate

C20H21N3O3 — CID 10247376

IUPACethyl 8-amino-4-[(2-methoxyphenyl)methylamino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(N)cccc2c1NCc1ccccc1OC
InChIInChI=1S/C20H21N3O3/c1-3-26-20(24)15-12-23-19-14(8-6-9-16(19)21)18(15)22-11-13-7-4-5-10-17(13)25-2/h4-10,12H,3,11,21H2,1-2H3,(H,22,23)
InChIKeyCBBVPTDFIWZUGG-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.61
Rot. Bonds6

About ethyl 8-amino-4-[(2-methoxyphenyl)methylamino]quinoline-3-carboxylate

ethyl 8-amino-4-[(2-methoxyphenyl)methylamino]quinoline-3-carboxylate (PubChem CID 10247376) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is ethyl 8-amino-4-[(2-methoxyphenyl)methylamino]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-amino-4-[(2-methoxyphenyl)methylamino]quinoline-3-carboxylate
PubChem CID10247376
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Nameethyl 8-amino-4-[(2-methoxyphenyl)methylamino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(N)cccc2c1NCc1ccccc1OC
InChIInChI=1S/C20H21N3O3/c1-3-26-20(24)15-12-23-19-14(8-6-9-16(19)21)18(15)22-11-13-7-4-5-10-17(13)25-2/h4-10,12H,3,11,21H2,1-2H3,(H,22,23)
InChIKeyCBBVPTDFIWZUGG-UHFFFAOYSA-N
XLogP3.61
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 8-amino-4-[2-(2-aminophenyl)ethylamino]quinoline-3-carboxylate
CID 10066474
ethyl 8-methoxy-4-(2-methoxyanilino)quinoline-3-carboxylate;hydrochloride
CID 13038443
ethyl 4-[[(2R)-2-hydroxypropyl]amino]-8-methoxyquinoline-3-carboxylate
CID 708704
ethyl 8-methoxy-4-(naphthalen-1-ylamino)quinoline-3-carboxylate
CID 1190582
ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate
CID 13038439
ethyl 8-amino-4-[[3-(trifluoromethyl)phenyl]methylamino]quinoline-3-carboxylate
CID 10068907
ethyl 4-(2-ethylanilino)-8-methoxyquinoline-3-carboxylate phosphate
CID 20529012
6-[(3-ethoxycarbonyl-8-methoxyquinolin-4-yl)amino]hexanoate
CID 7320785
ethyl 8-ethyl-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate
CID 23821530
ethyl 8-methoxy-4-(1-phenylethylamino)quinoline-3-carboxylate;hydrate
CID 20529010
ethyl 4-(2,5-dimethoxyanilino)-8-methoxyquinoline-3-carboxylate
CID 22333868
ethyl 8-bromo-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate
CID 86692233

Frequently Asked Questions

What is the IUPAC name of ethyl 8-amino-4-[(2-methoxyphenyl)methylamino]quinoline-3-carboxylate?
The IUPAC name of ethyl 8-amino-4-[(2-methoxyphenyl)methylamino]quinoline-3-carboxylate (CID 10247376) is ethyl 8-amino-4-[(2-methoxyphenyl)methylamino]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 8-amino-4-[(2-methoxyphenyl)methylamino]quinoline-3-carboxylate?
The canonical SMILES for ethyl 8-amino-4-[(2-methoxyphenyl)methylamino]quinoline-3-carboxylate is CCOC(=O)c1cnc2c(N)cccc2c1NCc1ccccc1OC.
What is the InChIKey of ethyl 8-amino-4-[(2-methoxyphenyl)methylamino]quinoline-3-carboxylate?
The InChIKey is CBBVPTDFIWZUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-3-26-20(24)15-12-23-19-14(8-6-9-16(19)21)18(15)22-11-13-7-4-5-10-17(13)25-2/h4-10,12H,3,11,21H2,1-2H3,(H,22,23).
What are the key properties of ethyl 8-amino-4-[(2-methoxyphenyl)methylamino]quinoline-3-carboxylate?
ethyl 8-amino-4-[(2-methoxyphenyl)methylamino]quinoline-3-carboxylate has a molecular weight of 351.41 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-amino-4-[(2-methoxyphenyl)methylamino]quinoline-3-carboxylate is sourced from PubChem (CID 10247376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).