6-hydroxy-5-(pyrrolidin-1-ylmethyl)-1H-quinolin-2-one;hydrochloride

C14H17ClN2O2 — CID 23287790

IUPAC6-hydroxy-5-(pyrrolidin-1-ylmethyl)-1H-quinolin-2-one;hydrochloride
SMILESCl.O=c1ccc2c(CN3CCCC3)c(O)ccc2[nH]1
InChIInChI=1S/C14H16N2O2.ClH/c17-13-5-4-12-10(3-6-14(18)15-12)11(13)9-16-7-1-2-8-16;/h3-6,17H,1-2,7-9H2,(H,15,18);1H
InChIKeyCHRSRSKKDPDRQI-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.25
Rot. Bonds2

About 6-hydroxy-5-(pyrrolidin-1-ylmethyl)-1H-quinolin-2-one;hydrochloride

6-hydroxy-5-(pyrrolidin-1-ylmethyl)-1H-quinolin-2-one;hydrochloride (PubChem CID 23287790) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 6-hydroxy-5-(pyrrolidin-1-ylmethyl)-1H-quinolin-2-one;hydrochloride.

Molecular Properties

Compound Name6-hydroxy-5-(pyrrolidin-1-ylmethyl)-1H-quinolin-2-one;hydrochloride
PubChem CID23287790
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name6-hydroxy-5-(pyrrolidin-1-ylmethyl)-1H-quinolin-2-one;hydrochloride
SMILESCl.O=c1ccc2c(CN3CCCC3)c(O)ccc2[nH]1
InChIInChI=1S/C14H16N2O2.ClH/c17-13-5-4-12-10(3-6-14(18)15-12)11(13)9-16-7-1-2-8-16;/h3-6,17H,1-2,7-9H2,(H,15,18);1H
InChIKeyCHRSRSKKDPDRQI-UHFFFAOYSA-N
XLogP2.25
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-(pyrrolidin-1-ylmethyl)-1H-quinolin-2-one;hydrochloride?
The IUPAC name of 6-hydroxy-5-(pyrrolidin-1-ylmethyl)-1H-quinolin-2-one;hydrochloride (CID 23287790) is 6-hydroxy-5-(pyrrolidin-1-ylmethyl)-1H-quinolin-2-one;hydrochloride.
What is the SMILES notation for 6-hydroxy-5-(pyrrolidin-1-ylmethyl)-1H-quinolin-2-one;hydrochloride?
The canonical SMILES for 6-hydroxy-5-(pyrrolidin-1-ylmethyl)-1H-quinolin-2-one;hydrochloride is Cl.O=c1ccc2c(CN3CCCC3)c(O)ccc2[nH]1.
What is the InChIKey of 6-hydroxy-5-(pyrrolidin-1-ylmethyl)-1H-quinolin-2-one;hydrochloride?
The InChIKey is CHRSRSKKDPDRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2.ClH/c17-13-5-4-12-10(3-6-14(18)15-12)11(13)9-16-7-1-2-8-16;/h3-6,17H,1-2,7-9H2,(H,15,18);1H.
What are the key properties of 6-hydroxy-5-(pyrrolidin-1-ylmethyl)-1H-quinolin-2-one;hydrochloride?
6-hydroxy-5-(pyrrolidin-1-ylmethyl)-1H-quinolin-2-one;hydrochloride has a molecular weight of 280.75 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-(pyrrolidin-1-ylmethyl)-1H-quinolin-2-one;hydrochloride is sourced from PubChem (CID 23287790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).