6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-4-carboxylic acid;hydrochloride

C15H17ClN2O3 — CID 175744986

IUPAC6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccnc2ccc(N3CC[C@@H](CO)C3)cc12
InChIInChI=1S/C15H16N2O3.ClH/c18-9-10-4-6-17(8-10)11-1-2-14-13(7-11)12(15(19)20)3-5-16-14;/h1-3,5,7,10,18H,4,6,8-9H2,(H,19,20);1H/t10-;/m1./s1
InChIKeyJQFNRYMDTDWXJU-HNCPQSOCSA-N
MW308.77 g/mol
LogP2.17
Rot. Bonds3

About 6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-4-carboxylic acid;hydrochloride

6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-4-carboxylic acid;hydrochloride (PubChem CID 175744986) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.77 g/mol. Its IUPAC name is 6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-4-carboxylic acid;hydrochloride
PubChem CID175744986
Molecular FormulaC15H17ClN2O3
Molecular Weight308.77 g/mol
Exact Mass308.09
IUPAC Name6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccnc2ccc(N3CC[C@@H](CO)C3)cc12
InChIInChI=1S/C15H16N2O3.ClH/c18-9-10-4-6-17(8-10)11-1-2-14-13(7-11)12(15(19)20)3-5-16-14;/h1-3,5,7,10,18H,4,6,8-9H2,(H,19,20);1H/t10-;/m1./s1
InChIKeyJQFNRYMDTDWXJU-HNCPQSOCSA-N
XLogP2.17
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-4-carboxylic acid
CID 164532574
6-(3-azabicyclo[3.1.0]hexan-3-yl)quinoline-4-carboxylic acid
CID 164533157
6-[(3R)-3-fluoroazepan-1-yl]quinoline-4-carboxylic acid
CID 164532604
6-[2-(fluoromethyl)morpholin-4-yl]quinoline-4-carboxylic acid
CID 175477073
methyl 6-(3-hydroxypyrrolidin-1-yl)quinoline-4-carboxylate
CID 167118448
[(3R)-1-(2-fluoro-4-pyridinyl)pyrrolidin-3-yl]methanol
CID 129413791
6-(3-hydroxy-3-methylazetidin-1-yl)quinoline-4-carboxylic acid
CID 164532677
4-[4-(hydroxymethyl)piperidin-1-yl]quinoline-6-carboxylic acid
CID 66978033
6-(6-azabicyclo[3.2.0]heptan-6-yl)quinoline-4-carboxylic acid
CID 167118395
[1-(1,3-benzothiazol-6-yl)pyrrolidin-3-yl]methanol
CID 107806610
6-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)quinoline-4-carboxylic acid
CID 164533139
2-amino-5-[4-(hydroxymethyl)piperidin-1-yl]benzoic acid
CID 60990150

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-4-carboxylic acid;hydrochloride?
The IUPAC name of 6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-4-carboxylic acid;hydrochloride (CID 175744986) is 6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-4-carboxylic acid;hydrochloride?
The canonical SMILES for 6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-4-carboxylic acid;hydrochloride is Cl.O=C(O)c1ccnc2ccc(N3CC[C@@H](CO)C3)cc12.
What is the InChIKey of 6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-4-carboxylic acid;hydrochloride?
The InChIKey is JQFNRYMDTDWXJU-HNCPQSOCSA-N. The full InChI is InChI=1S/C15H16N2O3.ClH/c18-9-10-4-6-17(8-10)11-1-2-14-13(7-11)12(15(19)20)3-5-16-14;/h1-3,5,7,10,18H,4,6,8-9H2,(H,19,20);1H/t10-;/m1./s1.
What are the key properties of 6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-4-carboxylic acid;hydrochloride?
6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-4-carboxylic acid;hydrochloride has a molecular weight of 308.77 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 175744986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).