methyl 6-(diethylamino)quinoline-4-carboxylate

C15H18N2O2 — CID 102941784

IUPACmethyl 6-(diethylamino)quinoline-4-carboxylate
SMILESCCN(CC)c1ccc2nccc(C(=O)OC)c2c1
InChIInChI=1S/C15H18N2O2/c1-4-17(5-2)11-6-7-14-13(10-11)12(8-9-16-14)15(18)19-3/h6-10H,4-5H2,1-3H3
InChIKeyWNZNAXIQCXRGEY-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.87
Rot. Bonds4

About methyl 6-(diethylamino)quinoline-4-carboxylate

methyl 6-(diethylamino)quinoline-4-carboxylate (PubChem CID 102941784) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is methyl 6-(diethylamino)quinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-(diethylamino)quinoline-4-carboxylate
PubChem CID102941784
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Namemethyl 6-(diethylamino)quinoline-4-carboxylate
SMILESCCN(CC)c1ccc2nccc(C(=O)OC)c2c1
InChIInChI=1S/C15H18N2O2/c1-4-17(5-2)11-6-7-14-13(10-11)12(8-9-16-14)15(18)19-3/h6-10H,4-5H2,1-3H3
InChIKeyWNZNAXIQCXRGEY-UHFFFAOYSA-N
XLogP2.87
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-(methylamino)quinoline-4-carboxylate
CID 171107860
methyl 6-propylquinoline-4-carboxylate
CID 102941688
methyl 6-(hydroxymethyl)quinoline-4-carboxylate
CID 170539779
methyl 6-(2-fluoroethoxy)quinoline-4-carboxylate
CID 170633336
methyl 6-(1,3-difluoropropan-2-yloxy)quinoline-4-carboxylate
CID 170633382
methyl 4-(diethylamino)-2-hydroxybenzoate
CID 18402115
methyl 6,7-dimethoxyquinoline-4-carboxylate
CID 59756874
dimethyl quinoline-4,7-dicarboxylate
CID 100951662
methyl 2-[[4-(diethylamino)pyridine-2-carbonyl]amino]benzoate
CID 109216568
methyl 6-(3,3-dimethylazetidin-1-yl)quinoline-4-carboxylate
CID 164532925
methyl benzo[f]quinoline-7-carboxylate
CID 141374435
methyl 7-acetylquinoline-4-carboxylate
CID 170539761

Frequently Asked Questions

What is the IUPAC name of methyl 6-(diethylamino)quinoline-4-carboxylate?
The IUPAC name of methyl 6-(diethylamino)quinoline-4-carboxylate (CID 102941784) is methyl 6-(diethylamino)quinoline-4-carboxylate.
What is the SMILES notation for methyl 6-(diethylamino)quinoline-4-carboxylate?
The canonical SMILES for methyl 6-(diethylamino)quinoline-4-carboxylate is CCN(CC)c1ccc2nccc(C(=O)OC)c2c1.
What is the InChIKey of methyl 6-(diethylamino)quinoline-4-carboxylate?
The InChIKey is WNZNAXIQCXRGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-17(5-2)11-6-7-14-13(10-11)12(8-9-16-14)15(18)19-3/h6-10H,4-5H2,1-3H3.
What are the key properties of methyl 6-(diethylamino)quinoline-4-carboxylate?
methyl 6-(diethylamino)quinoline-4-carboxylate has a molecular weight of 258.32 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(diethylamino)quinoline-4-carboxylate is sourced from PubChem (CID 102941784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).