6-[(3-ethoxycarbonyl-8-methoxyquinolin-4-yl)amino]hexanoate

C19H23N2O5- — CID 7320785

IUPAC6-[(3-ethoxycarbonyl-8-methoxyquinolin-4-yl)amino]hexanoate
SMILESCCOC(=O)c1cnc2c(OC)cccc2c1NCCCCCC(=O)[O-]
InChIInChI=1S/C19H24N2O5/c1-3-26-19(24)14-12-21-18-13(8-7-9-15(18)25-2)17(14)20-11-6-4-5-10-16(22)23/h7-9,12H,3-6,10-11H2,1-2H3,(H,20,21)(H,22,23)/p-1
InChIKeyXVFJGHCSLRHLJI-UHFFFAOYSA-M
MW359.40 g/mol
LogP2.14
Rot. Bonds10

About 6-[(3-ethoxycarbonyl-8-methoxyquinolin-4-yl)amino]hexanoate

6-[(3-ethoxycarbonyl-8-methoxyquinolin-4-yl)amino]hexanoate (PubChem CID 7320785) has the molecular formula C19H23N2O5- and a molecular weight of 359.40 g/mol. Its IUPAC name is 6-[(3-ethoxycarbonyl-8-methoxyquinolin-4-yl)amino]hexanoate.

Molecular Properties

Compound Name6-[(3-ethoxycarbonyl-8-methoxyquinolin-4-yl)amino]hexanoate
PubChem CID7320785
Molecular FormulaC19H23N2O5-
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name6-[(3-ethoxycarbonyl-8-methoxyquinolin-4-yl)amino]hexanoate
SMILESCCOC(=O)c1cnc2c(OC)cccc2c1NCCCCCC(=O)[O-]
InChIInChI=1S/C19H24N2O5/c1-3-26-19(24)14-12-21-18-13(8-7-9-15(18)25-2)17(14)20-11-6-4-5-10-16(22)23/h7-9,12H,3-6,10-11H2,1-2H3,(H,20,21)(H,22,23)/p-1
InChIKeyXVFJGHCSLRHLJI-UHFFFAOYSA-M
XLogP2.14
TPSA100.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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-methoxyanilino)quinoline-3-carboxylate;hydrochloride
CID 13038443
ethyl 4-(2,5-dimethoxyanilino)-8-methoxyquinoline-3-carboxylate
CID 22333868
ethyl 8-methoxy-4-(2-methylanilino)quinoline-3-carboxylate
CID 13038439
ethyl 8-amino-4-[(2-methoxyphenyl)methylamino]quinoline-3-carboxylate
CID 10247376
ethyl 4-(2-ethylanilino)-8-methoxyquinoline-3-carboxylate phosphate
CID 20529012
ethyl 8-methoxy-4-(1-phenylethylamino)quinoline-3-carboxylate;hydrate
CID 20529010
3-[(3-ethoxycarbonyl-8-methoxyquinolin-4-yl)amino]-4-methylbenzoic acid;hydrochloride
CID 18590598
ethyl 8-methoxy-4-(4-phenylmethoxyanilino)quinoline-3-carboxylate
CID 23769624
ethyl 8-amino-4-[2-(2-aminophenyl)ethylamino]quinoline-3-carboxylate
CID 10066474
ethyl 8-chloro-4-(2-phenylethylamino)quinoline-3-carboxylate
CID 1181324

Frequently Asked Questions

What is the IUPAC name of 6-[(3-ethoxycarbonyl-8-methoxyquinolin-4-yl)amino]hexanoate?
The IUPAC name of 6-[(3-ethoxycarbonyl-8-methoxyquinolin-4-yl)amino]hexanoate (CID 7320785) is 6-[(3-ethoxycarbonyl-8-methoxyquinolin-4-yl)amino]hexanoate.
What is the SMILES notation for 6-[(3-ethoxycarbonyl-8-methoxyquinolin-4-yl)amino]hexanoate?
The canonical SMILES for 6-[(3-ethoxycarbonyl-8-methoxyquinolin-4-yl)amino]hexanoate is CCOC(=O)c1cnc2c(OC)cccc2c1NCCCCCC(=O)[O-].
What is the InChIKey of 6-[(3-ethoxycarbonyl-8-methoxyquinolin-4-yl)amino]hexanoate?
The InChIKey is XVFJGHCSLRHLJI-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H24N2O5/c1-3-26-19(24)14-12-21-18-13(8-7-9-15(18)25-2)17(14)20-11-6-4-5-10-16(22)23/h7-9,12H,3-6,10-11H2,1-2H3,(H,20,21)(H,22,23)/p-1.
What are the key properties of 6-[(3-ethoxycarbonyl-8-methoxyquinolin-4-yl)amino]hexanoate?
6-[(3-ethoxycarbonyl-8-methoxyquinolin-4-yl)amino]hexanoate has a molecular weight of 359.40 g/mol, XLogP of 2.14, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-ethoxycarbonyl-8-methoxyquinolin-4-yl)amino]hexanoate is sourced from PubChem (CID 7320785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).