methyl 3-[(1S)-1-hydroxyethyl]-6-methoxyquinoline-4-carboxylate

C14H15NO4 — CID 101455460

IUPACmethyl 3-[(1S)-1-hydroxyethyl]-6-methoxyquinoline-4-carboxylate
SMILESCOC(=O)c1c([C@H](C)O)cnc2ccc(OC)cc12
InChIInChI=1S/C14H15NO4/c1-8(16)11-7-15-12-5-4-9(18-2)6-10(12)13(11)14(17)19-3/h4-8,16H,1-3H3/t8-/m0/s1
InChIKeyALOYSJHYRGUCOA-QMMMGPOBSA-N
MW261.28 g/mol
LogP2.08
Rot. Bonds3

About methyl 3-[(1S)-1-hydroxyethyl]-6-methoxyquinoline-4-carboxylate

methyl 3-[(1S)-1-hydroxyethyl]-6-methoxyquinoline-4-carboxylate (PubChem CID 101455460) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is methyl 3-[(1S)-1-hydroxyethyl]-6-methoxyquinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(1S)-1-hydroxyethyl]-6-methoxyquinoline-4-carboxylate
PubChem CID101455460
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Namemethyl 3-[(1S)-1-hydroxyethyl]-6-methoxyquinoline-4-carboxylate
SMILESCOC(=O)c1c([C@H](C)O)cnc2ccc(OC)cc12
InChIInChI=1S/C14H15NO4/c1-8(16)11-7-15-12-5-4-9(18-2)6-10(12)13(11)14(17)19-3/h4-8,16H,1-3H3/t8-/m0/s1
InChIKeyALOYSJHYRGUCOA-QMMMGPOBSA-N
XLogP2.08
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxyquinolin-5-yl)ethanol
CID 141175761
ethyl 4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylate
CID 2791600
4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride
CID 20982484
ethyl 6-methoxy-4-(methylamino)quinoline-3-carboxylate
CID 46397911
methyl 8-methoxyphenanthridine-3-carboxylate
CID 167513566
4-amino-6-methoxyquinolin-3-ol
CID 84662489
phenyl 2,7-dimethoxyacridine-9-carboxylate
CID 19364944
2-[(3-bromo-6-methoxyquinolin-4-yl)amino]propan-1-ol
CID 143875691
2-chloro-N-(4-chloro-6-methoxyquinolin-3-yl)acetamide
CID 89139592
(4-chloro-6-methoxyquinolin-3-yl)-(4-methoxyphenyl)methanone
CID 53491110
8-methoxy-2-methylthieno[2,3-c]quinoline
CID 141424177
8-methoxy-3H-pyrazolo[3,4-c]quinoline
CID 141354745

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1S)-1-hydroxyethyl]-6-methoxyquinoline-4-carboxylate?
The IUPAC name of methyl 3-[(1S)-1-hydroxyethyl]-6-methoxyquinoline-4-carboxylate (CID 101455460) is methyl 3-[(1S)-1-hydroxyethyl]-6-methoxyquinoline-4-carboxylate.
What is the SMILES notation for methyl 3-[(1S)-1-hydroxyethyl]-6-methoxyquinoline-4-carboxylate?
The canonical SMILES for methyl 3-[(1S)-1-hydroxyethyl]-6-methoxyquinoline-4-carboxylate is COC(=O)c1c([C@H](C)O)cnc2ccc(OC)cc12.
What is the InChIKey of methyl 3-[(1S)-1-hydroxyethyl]-6-methoxyquinoline-4-carboxylate?
The InChIKey is ALOYSJHYRGUCOA-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H15NO4/c1-8(16)11-7-15-12-5-4-9(18-2)6-10(12)13(11)14(17)19-3/h4-8,16H,1-3H3/t8-/m0/s1.
What are the key properties of methyl 3-[(1S)-1-hydroxyethyl]-6-methoxyquinoline-4-carboxylate?
methyl 3-[(1S)-1-hydroxyethyl]-6-methoxyquinoline-4-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1S)-1-hydroxyethyl]-6-methoxyquinoline-4-carboxylate is sourced from PubChem (CID 101455460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).