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

C20H27N3O3 — CID 1088949

IUPACethyl 7,8-dimethyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)c(C)ccc2c1NCCN1CCOCC1
InChIInChI=1S/C20H27N3O3/c1-4-26-20(24)17-13-22-18-15(3)14(2)5-6-16(18)19(17)21-7-8-23-9-11-25-12-10-23/h5-6,13H,4,7-12H2,1-3H3,(H,21,22)
InChIKeyWDTQHZPUXJQRDI-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.77
Rot. Bonds6

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

ethyl 7,8-dimethyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate (PubChem CID 1088949) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is ethyl 7,8-dimethyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7,8-dimethyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate
PubChem CID1088949
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Nameethyl 7,8-dimethyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)c(C)ccc2c1NCCN1CCOCC1
InChIInChI=1S/C20H27N3O3/c1-4-26-20(24)17-13-22-18-15(3)14(2)5-6-16(18)19(17)21-7-8-23-9-11-25-12-10-23/h5-6,13H,4,7-12H2,1-3H3,(H,21,22)
InChIKeyWDTQHZPUXJQRDI-UHFFFAOYSA-N
XLogP2.77
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 7,8-dichloro-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate
CID 1187153
3-O-ethyl 8-O-methyl 4-(2-morpholin-4-ylethylamino)quinoline-3,8-dicarboxylate
CID 1191454
ethyl 7,8-dichloro-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate;hydrochloride
CID 2790720
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 4-[[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]amino]-7,8-dimethylquinoline-3-carboxylate
CID 133394515
ethyl 7,8-dimethyl-4-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]amino]quinoline-3-carboxylate
CID 133394116
ethyl 4-(4-acetamidoanilino)-7,8-dimethylquinoline-3-carboxylate
CID 2956986
ethyl 4-[2-(hydroxymethyl)morpholin-4-yl]-7,8-dimethylquinoline-3-carboxylate
CID 133368783
ethyl 6-chloro-8-methyl-4-(propylamino)quinoline-3-carboxylate
CID 63486439
ethyl 2-[[2-(2-morpholin-4-ylethylamino)-2-oxoacetyl]amino]benzoate
CID 108501776
ethyl 2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109154207

Frequently Asked Questions

What is the IUPAC name of ethyl 7,8-dimethyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate?
The IUPAC name of ethyl 7,8-dimethyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate (CID 1088949) is ethyl 7,8-dimethyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 7,8-dimethyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 7,8-dimethyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate is CCOC(=O)c1cnc2c(C)c(C)ccc2c1NCCN1CCOCC1.
What is the InChIKey of ethyl 7,8-dimethyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate?
The InChIKey is WDTQHZPUXJQRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-4-26-20(24)17-13-22-18-15(3)14(2)5-6-16(18)19(17)21-7-8-23-9-11-25-12-10-23/h5-6,13H,4,7-12H2,1-3H3,(H,21,22).
What are the key properties of ethyl 7,8-dimethyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate?
ethyl 7,8-dimethyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate has a molecular weight of 357.45 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7,8-dimethyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate is sourced from PubChem (CID 1088949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).