methyl 6-morpholin-4-ylquinoline-4-carboxylate

C15H16N2O3 — CID 102941785

IUPACmethyl 6-morpholin-4-ylquinoline-4-carboxylate
SMILESCOC(=O)c1ccnc2ccc(N3CCOCC3)cc12
InChIInChI=1S/C15H16N2O3/c1-19-15(18)12-4-5-16-14-3-2-11(10-13(12)14)17-6-8-20-9-7-17/h2-5,10H,6-9H2,1H3
InChIKeyJGYVYQQTOIXDTI-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.86
Rot. Bonds2

About methyl 6-morpholin-4-ylquinoline-4-carboxylate

methyl 6-morpholin-4-ylquinoline-4-carboxylate (PubChem CID 102941785) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is methyl 6-morpholin-4-ylquinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-morpholin-4-ylquinoline-4-carboxylate
PubChem CID102941785
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Namemethyl 6-morpholin-4-ylquinoline-4-carboxylate
SMILESCOC(=O)c1ccnc2ccc(N3CCOCC3)cc12
InChIInChI=1S/C15H16N2O3/c1-19-15(18)12-4-5-16-14-3-2-11(10-13(12)14)17-6-8-20-9-7-17/h2-5,10H,6-9H2,1H3
InChIKeyJGYVYQQTOIXDTI-UHFFFAOYSA-N
XLogP1.86
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-(2-oxa-7-azaspiro[3.5]nonan-7-yl)quinoline-4-carboxylate
CID 164532584
methyl 6-(3,3-dimethylazetidin-1-yl)quinoline-4-carboxylate
CID 164532925
methyl 6-(3-hydroxypyrrolidin-1-yl)quinoline-4-carboxylate
CID 167118448
methyl 6-(3-hydroxy-3-methylpyrrolidin-1-yl)quinoline-4-carboxylate
CID 175477036
methyl 2-methyl-4-morpholin-4-ylbenzoate
CID 90024135
N-ethyl-6-morpholin-4-ylquinolin-4-amine
CID 63181063
methyl 6-(methylamino)quinoline-4-carboxylate
CID 171107860
tert-butyl 6-[(3R)-3-methylmorpholin-4-yl]quinoline-4-carboxylate
CID 164532532
4-methoxy-6-morpholin-4-ylquinoline-2-carboxylic acid
CID 102942059
6-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)quinoline-4-carboxylic acid
CID 164533139
methyl 7-(methoxymethyl)-6-morpholin-4-yl-1,5-naphthyridine-4-carboxylate
CID 166801121
methyl 6-(hydroxymethyl)quinoline-4-carboxylate
CID 170539779

Frequently Asked Questions

What is the IUPAC name of methyl 6-morpholin-4-ylquinoline-4-carboxylate?
The IUPAC name of methyl 6-morpholin-4-ylquinoline-4-carboxylate (CID 102941785) is methyl 6-morpholin-4-ylquinoline-4-carboxylate.
What is the SMILES notation for methyl 6-morpholin-4-ylquinoline-4-carboxylate?
The canonical SMILES for methyl 6-morpholin-4-ylquinoline-4-carboxylate is COC(=O)c1ccnc2ccc(N3CCOCC3)cc12.
What is the InChIKey of methyl 6-morpholin-4-ylquinoline-4-carboxylate?
The InChIKey is JGYVYQQTOIXDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-19-15(18)12-4-5-16-14-3-2-11(10-13(12)14)17-6-8-20-9-7-17/h2-5,10H,6-9H2,1H3.
What are the key properties of methyl 6-morpholin-4-ylquinoline-4-carboxylate?
methyl 6-morpholin-4-ylquinoline-4-carboxylate has a molecular weight of 272.30 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-morpholin-4-ylquinoline-4-carboxylate is sourced from PubChem (CID 102941785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).