methyl 6-(methylamino)quinoline-4-carboxylate

C12H12N2O2 — CID 171107860

IUPACmethyl 6-(methylamino)quinoline-4-carboxylate
SMILESCNc1ccc2nccc(C(=O)OC)c2c1
InChIInChI=1S/C12H12N2O2/c1-13-8-3-4-11-10(7-8)9(5-6-14-11)12(15)16-2/h3-7,13H,1-2H3
InChIKeySQUQJYDABPSMEX-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.06
Rot. Bonds2

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

methyl 6-(methylamino)quinoline-4-carboxylate (PubChem CID 171107860) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is methyl 6-(methylamino)quinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-(methylamino)quinoline-4-carboxylate
PubChem CID171107860
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Namemethyl 6-(methylamino)quinoline-4-carboxylate
SMILESCNc1ccc2nccc(C(=O)OC)c2c1
InChIInChI=1S/C12H12N2O2/c1-13-8-3-4-11-10(7-8)9(5-6-14-11)12(15)16-2/h3-7,13H,1-2H3
InChIKeySQUQJYDABPSMEX-UHFFFAOYSA-N
XLogP2.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-(hydroxymethyl)quinoline-4-carboxylate
CID 170539779
methyl 6-(diethylamino)quinoline-4-carboxylate
CID 102941784
methyl 6-propylquinoline-4-carboxylate
CID 102941688
methyl 6,7-dimethoxyquinoline-4-carboxylate
CID 59756874
methyl 6-(1,3-difluoropropan-2-yloxy)quinoline-4-carboxylate
CID 170633382
methyl 6-(2-fluoroethoxy)quinoline-4-carboxylate
CID 170633336
dimethyl quinoline-4,7-dicarboxylate
CID 100951662
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
methyl 6-morpholin-4-ylquinoline-4-carboxylate
CID 102941785
methyl 6-(3-hydroxypyrrolidin-1-yl)quinoline-4-carboxylate
CID 167118448

Frequently Asked Questions

What is the IUPAC name of methyl 6-(methylamino)quinoline-4-carboxylate?
The IUPAC name of methyl 6-(methylamino)quinoline-4-carboxylate (CID 171107860) is methyl 6-(methylamino)quinoline-4-carboxylate.
What is the SMILES notation for methyl 6-(methylamino)quinoline-4-carboxylate?
The canonical SMILES for methyl 6-(methylamino)quinoline-4-carboxylate is CNc1ccc2nccc(C(=O)OC)c2c1.
What is the InChIKey of methyl 6-(methylamino)quinoline-4-carboxylate?
The InChIKey is SQUQJYDABPSMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-13-8-3-4-11-10(7-8)9(5-6-14-11)12(15)16-2/h3-7,13H,1-2H3.
What are the key properties of methyl 6-(methylamino)quinoline-4-carboxylate?
methyl 6-(methylamino)quinoline-4-carboxylate has a molecular weight of 216.24 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(methylamino)quinoline-4-carboxylate is sourced from PubChem (CID 171107860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).