methyl 6-(3-hydroxy-3-methylpyrrolidin-1-yl)quinoline-4-carboxylate

C16H18N2O3 — CID 175477036

IUPACmethyl 6-(3-hydroxy-3-methylpyrrolidin-1-yl)quinoline-4-carboxylate
SMILESCOC(=O)c1ccnc2ccc(N3CCC(C)(O)C3)cc12
InChIInChI=1S/C16H18N2O3/c1-16(20)6-8-18(10-16)11-3-4-14-13(9-11)12(5-7-17-14)15(19)21-2/h3-5,7,9,20H,6,8,10H2,1-2H3
InChIKeyCTUOYGXMRWICEU-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.98
Rot. Bonds2

About methyl 6-(3-hydroxy-3-methylpyrrolidin-1-yl)quinoline-4-carboxylate

methyl 6-(3-hydroxy-3-methylpyrrolidin-1-yl)quinoline-4-carboxylate (PubChem CID 175477036) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl 6-(3-hydroxy-3-methylpyrrolidin-1-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3-hydroxy-3-methylpyrrolidin-1-yl)quinoline-4-carboxylate
PubChem CID175477036
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Namemethyl 6-(3-hydroxy-3-methylpyrrolidin-1-yl)quinoline-4-carboxylate
SMILESCOC(=O)c1ccnc2ccc(N3CCC(C)(O)C3)cc12
InChIInChI=1S/C16H18N2O3/c1-16(20)6-8-18(10-16)11-3-4-14-13(9-11)12(5-7-17-14)15(19)21-2/h3-5,7,9,20H,6,8,10H2,1-2H3
InChIKeyCTUOYGXMRWICEU-UHFFFAOYSA-N
XLogP1.98
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-(3,3-dimethylazetidin-1-yl)quinoline-4-carboxylate
CID 164532925
methyl 6-(2-oxa-7-azaspiro[3.5]nonan-7-yl)quinoline-4-carboxylate
CID 164532584
6-(3-hydroxy-3-methylazetidin-1-yl)quinoline-4-carboxylic acid
CID 164532677
methyl 6-morpholin-4-ylquinoline-4-carboxylate
CID 102941785
methyl 6-(3-hydroxypyrrolidin-1-yl)quinoline-4-carboxylate
CID 167118448
N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-[(3R)-3-hydroxy-3-methylpyrrolidin-1-yl]quinoline-4-carboxamide
CID 164533044
1-(2-methoxy-4-pyridinyl)-3-methylpyrrolidin-3-ol
CID 103357727
methyl 6-(methylamino)quinoline-4-carboxylate
CID 171107860
tert-butyl 6-(3,3-dimethyl-1-oxa-6-azaspiro[3.3]heptan-6-yl)quinoline-4-carboxylate
CID 164533128
3-methyl-1-(2-methyl-4-pyridinyl)pyrrolidin-3-ol
CID 104924644
6-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)quinoline-4-carboxylic acid
CID 164533139
4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylbenzoic acid
CID 103356398

Frequently Asked Questions

What is the IUPAC name of methyl 6-(3-hydroxy-3-methylpyrrolidin-1-yl)quinoline-4-carboxylate?
The IUPAC name of methyl 6-(3-hydroxy-3-methylpyrrolidin-1-yl)quinoline-4-carboxylate (CID 175477036) is methyl 6-(3-hydroxy-3-methylpyrrolidin-1-yl)quinoline-4-carboxylate.
What is the SMILES notation for methyl 6-(3-hydroxy-3-methylpyrrolidin-1-yl)quinoline-4-carboxylate?
The canonical SMILES for methyl 6-(3-hydroxy-3-methylpyrrolidin-1-yl)quinoline-4-carboxylate is COC(=O)c1ccnc2ccc(N3CCC(C)(O)C3)cc12.
What is the InChIKey of methyl 6-(3-hydroxy-3-methylpyrrolidin-1-yl)quinoline-4-carboxylate?
The InChIKey is CTUOYGXMRWICEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-16(20)6-8-18(10-16)11-3-4-14-13(9-11)12(5-7-17-14)15(19)21-2/h3-5,7,9,20H,6,8,10H2,1-2H3.
What are the key properties of methyl 6-(3-hydroxy-3-methylpyrrolidin-1-yl)quinoline-4-carboxylate?
methyl 6-(3-hydroxy-3-methylpyrrolidin-1-yl)quinoline-4-carboxylate has a molecular weight of 286.33 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3-hydroxy-3-methylpyrrolidin-1-yl)quinoline-4-carboxylate is sourced from PubChem (CID 175477036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).