ethyl 7,8-dichloro-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate

C18H21Cl2N3O3 — CID 1187153

IUPACethyl 7,8-dichloro-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1NCCN1CCOCC1
InChIInChI=1S/C18H21Cl2N3O3/c1-2-26-18(24)13-11-22-17-12(3-4-14(19)15(17)20)16(13)21-5-6-23-7-9-25-10-8-23/h3-4,11H,2,5-10H2,1H3,(H,21,22)
InChIKeySTNYKOYIGYMNAT-UHFFFAOYSA-N
MW398.29 g/mol
LogP3.46
Rot. Bonds6

About ethyl 7,8-dichloro-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate

ethyl 7,8-dichloro-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate (PubChem CID 1187153) has the molecular formula C18H21Cl2N3O3 and a molecular weight of 398.29 g/mol. Its IUPAC name is ethyl 7,8-dichloro-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7,8-dichloro-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate
PubChem CID1187153
Molecular FormulaC18H21Cl2N3O3
Molecular Weight398.29 g/mol
Exact Mass397.10
IUPAC Nameethyl 7,8-dichloro-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1NCCN1CCOCC1
InChIInChI=1S/C18H21Cl2N3O3/c1-2-26-18(24)13-11-22-17-12(3-4-14(19)15(17)20)16(13)21-5-6-23-7-9-25-10-8-23/h3-4,11H,2,5-10H2,1H3,(H,21,22)
InChIKeySTNYKOYIGYMNAT-UHFFFAOYSA-N
XLogP3.46
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.29
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 7,8-dichloro-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate;hydrochloride
CID 2790720
ethyl 7,8-dimethyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate
CID 1088949
3-O-ethyl 8-O-methyl 4-(2-morpholin-4-ylethylamino)quinoline-3,8-dicarboxylate
CID 1191454
ethyl 6-ethyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate
CID 1188194
ethyl 4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxylate
CID 17121387
ethyl 7,8-dichloro-4-(2-ethoxyanilino)quinoline-3-carboxylate
CID 23993661
ethyl 6-chloro-8-methyl-4-(propylamino)quinoline-3-carboxylate
CID 63486439
ethyl 7,8-dichloro-4-(2,5-dimethoxyanilino)quinoline-3-carboxylate
CID 23995336
ethyl 5-chloro-4-(ethylamino)-8-methylquinoline-3-carboxylate
CID 63484840
ethyl 4-(benzylamino)-7-chloro-8-methylquinoline-3-carboxylate;hydrochloride
CID 2789452
ethyl 4-[[5-(2-morpholin-4-ylethylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109277715
ethyl 8-chloro-4-(ethylamino)-6-fluoroquinoline-3-carboxylate
CID 63486784

Frequently Asked Questions

What is the IUPAC name of ethyl 7,8-dichloro-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate?
The IUPAC name of ethyl 7,8-dichloro-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate (CID 1187153) is ethyl 7,8-dichloro-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 7,8-dichloro-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 7,8-dichloro-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate is CCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1NCCN1CCOCC1.
What is the InChIKey of ethyl 7,8-dichloro-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate?
The InChIKey is STNYKOYIGYMNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3O3/c1-2-26-18(24)13-11-22-17-12(3-4-14(19)15(17)20)16(13)21-5-6-23-7-9-25-10-8-23/h3-4,11H,2,5-10H2,1H3,(H,21,22).
What are the key properties of ethyl 7,8-dichloro-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate?
ethyl 7,8-dichloro-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate has a molecular weight of 398.29 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7,8-dichloro-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate is sourced from PubChem (CID 1187153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).