methyl 6-(hydroxymethyl)quinoline-4-carboxylate

C12H11NO3 — CID 170539779

IUPACmethyl 6-(hydroxymethyl)quinoline-4-carboxylate
SMILESCOC(=O)c1ccnc2ccc(CO)cc12
InChIInChI=1S/C12H11NO3/c1-16-12(15)9-4-5-13-11-3-2-8(7-14)6-10(9)11/h2-6,14H,7H2,1H3
InChIKeyWNNRXXVLWKKZCI-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.51
Rot. Bonds2

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

methyl 6-(hydroxymethyl)quinoline-4-carboxylate (PubChem CID 170539779) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is methyl 6-(hydroxymethyl)quinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-(hydroxymethyl)quinoline-4-carboxylate
PubChem CID170539779
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Namemethyl 6-(hydroxymethyl)quinoline-4-carboxylate
SMILESCOC(=O)c1ccnc2ccc(CO)cc12
InChIInChI=1S/C12H11NO3/c1-16-12(15)9-4-5-13-11-3-2-8(7-14)6-10(9)11/h2-6,14H,7H2,1H3
InChIKeyWNNRXXVLWKKZCI-UHFFFAOYSA-N
XLogP1.51
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-propylquinoline-4-carboxylate
CID 102941688
methyl 6-(methylamino)quinoline-4-carboxylate
CID 171107860
methyl 6-(diethylamino)quinoline-4-carboxylate
CID 102941784
methyl 6-(2-fluoroethoxy)quinoline-4-carboxylate
CID 170633336
methyl 6-(1,3-difluoropropan-2-yloxy)quinoline-4-carboxylate
CID 170633382
methyl 6,7-dimethoxyquinoline-4-carboxylate
CID 59756874
6-ethylquinoline-4-carboxylic acid
CID 83527113
dimethyl quinoline-4,7-dicarboxylate
CID 100951662
methyl 6-(3,3-dimethylazetidin-1-yl)quinoline-4-carboxylate
CID 164532925
methyl 7-acetylquinoline-4-carboxylate
CID 170539761
methyl 6-morpholin-4-ylquinoline-4-carboxylate
CID 102941785
methyl 3-(6-methoxyquinolin-4-yl)-3-oxopropanoate
CID 82665606

Frequently Asked Questions

What is the IUPAC name of methyl 6-(hydroxymethyl)quinoline-4-carboxylate?
The IUPAC name of methyl 6-(hydroxymethyl)quinoline-4-carboxylate (CID 170539779) is methyl 6-(hydroxymethyl)quinoline-4-carboxylate.
What is the SMILES notation for methyl 6-(hydroxymethyl)quinoline-4-carboxylate?
The canonical SMILES for methyl 6-(hydroxymethyl)quinoline-4-carboxylate is COC(=O)c1ccnc2ccc(CO)cc12.
What is the InChIKey of methyl 6-(hydroxymethyl)quinoline-4-carboxylate?
The InChIKey is WNNRXXVLWKKZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-16-12(15)9-4-5-13-11-3-2-8(7-14)6-10(9)11/h2-6,14H,7H2,1H3.
What are the key properties of methyl 6-(hydroxymethyl)quinoline-4-carboxylate?
methyl 6-(hydroxymethyl)quinoline-4-carboxylate has a molecular weight of 217.22 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(hydroxymethyl)quinoline-4-carboxylate is sourced from PubChem (CID 170539779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).