ethyl 4-[(4-methoxyoxan-4-yl)methylamino]-6-methylquinoline-3-carboxylate

C20H26N2O4 — CID 133400044

IUPACethyl 4-[(4-methoxyoxan-4-yl)methylamino]-6-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(C)cc2c1NCC1(OC)CCOCC1
InChIInChI=1S/C20H26N2O4/c1-4-26-19(23)16-12-21-17-6-5-14(2)11-15(17)18(16)22-13-20(24-3)7-9-25-10-8-20/h5-6,11-12H,4,7-10,13H2,1-3H3,(H,21,22)
InChIKeyCLPARPDQTIRLSQ-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.33
Rot. Bonds6

About ethyl 4-[(4-methoxyoxan-4-yl)methylamino]-6-methylquinoline-3-carboxylate

ethyl 4-[(4-methoxyoxan-4-yl)methylamino]-6-methylquinoline-3-carboxylate (PubChem CID 133400044) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is ethyl 4-[(4-methoxyoxan-4-yl)methylamino]-6-methylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-methoxyoxan-4-yl)methylamino]-6-methylquinoline-3-carboxylate
PubChem CID133400044
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Nameethyl 4-[(4-methoxyoxan-4-yl)methylamino]-6-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(C)cc2c1NCC1(OC)CCOCC1
InChIInChI=1S/C20H26N2O4/c1-4-26-19(23)16-12-21-17-6-5-14(2)11-15(17)18(16)22-13-20(24-3)7-9-25-10-8-20/h5-6,11-12H,4,7-10,13H2,1-3H3,(H,21,22)
InChIKeyCLPARPDQTIRLSQ-UHFFFAOYSA-N
XLogP3.33
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]-6-methylquinoline-3-carboxylate
CID 133399113
ethyl 4-(4-methoxycarbonylanilino)-6-methylquinoline-3-carboxylate
CID 1180834
ethyl 6-ethyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate
CID 1188194
ethyl 2-[(3-methoxyoxolan-3-yl)methylamino]-4-methylpyrimidine-5-carboxylate
CID 104705516
3-O-ethyl 6-O-methyl 4-[2-(dimethylamino)ethylamino]quinoline-3,6-dicarboxylate
CID 725474
ethyl 4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylate
CID 2791600
diethyl 4-[2-(dimethylamino)ethylamino]quinoline-3,6-dicarboxylate
CID 1078338
ethyl 6-methoxy-4-(methylamino)quinoline-3-carboxylate
CID 46397911
ethyl 4-(2,2-difluoroethylamino)-6-fluoroquinoline-3-carboxylate
CID 133368454
ethyl 6-ethoxy-4-[[(2S)-2-hydroxypropyl]amino]quinoline-3-carboxylate
CID 705522
ethyl 6-bromo-4-[[(2S)-2-hydroxypropyl]amino]quinoline-3-carboxylate
CID 992369
ethyl 6-ethoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carboxylate
CID 22333887

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-methoxyoxan-4-yl)methylamino]-6-methylquinoline-3-carboxylate?
The IUPAC name of ethyl 4-[(4-methoxyoxan-4-yl)methylamino]-6-methylquinoline-3-carboxylate (CID 133400044) is ethyl 4-[(4-methoxyoxan-4-yl)methylamino]-6-methylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-[(4-methoxyoxan-4-yl)methylamino]-6-methylquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-[(4-methoxyoxan-4-yl)methylamino]-6-methylquinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(C)cc2c1NCC1(OC)CCOCC1.
What is the InChIKey of ethyl 4-[(4-methoxyoxan-4-yl)methylamino]-6-methylquinoline-3-carboxylate?
The InChIKey is CLPARPDQTIRLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-4-26-19(23)16-12-21-17-6-5-14(2)11-15(17)18(16)22-13-20(24-3)7-9-25-10-8-20/h5-6,11-12H,4,7-10,13H2,1-3H3,(H,21,22).
What are the key properties of ethyl 4-[(4-methoxyoxan-4-yl)methylamino]-6-methylquinoline-3-carboxylate?
ethyl 4-[(4-methoxyoxan-4-yl)methylamino]-6-methylquinoline-3-carboxylate has a molecular weight of 358.44 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-methoxyoxan-4-yl)methylamino]-6-methylquinoline-3-carboxylate is sourced from PubChem (CID 133400044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).