4-(aminomethyl)-1H-quinolin-2-one;hydrochloride

C10H11ClN2O — CID 54595267

IUPAC4-(aminomethyl)-1H-quinolin-2-one;hydrochloride
SMILESCl.NCc1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C10H10N2O.ClH/c11-6-7-5-10(13)12-9-4-2-1-3-8(7)9;/h1-5H,6,11H2,(H,12,13);1H
InChIKeyCFDUUHMVBMEEPA-UHFFFAOYSA-N
MW210.66 g/mol
LogP1.41
Rot. Bonds1

About 4-(aminomethyl)-1H-quinolin-2-one;hydrochloride

4-(aminomethyl)-1H-quinolin-2-one;hydrochloride (PubChem CID 54595267) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 4-(aminomethyl)-1H-quinolin-2-one;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-1H-quinolin-2-one;hydrochloride
PubChem CID54595267
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name4-(aminomethyl)-1H-quinolin-2-one;hydrochloride
SMILESCl.NCc1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C10H10N2O.ClH/c11-6-7-5-10(13)12-9-4-2-1-3-8(7)9;/h1-5H,6,11H2,(H,12,13);1H
InChIKeyCFDUUHMVBMEEPA-UHFFFAOYSA-N
XLogP1.41
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1H-quinolin-2-one;hydrochloride?
The IUPAC name of 4-(aminomethyl)-1H-quinolin-2-one;hydrochloride (CID 54595267) is 4-(aminomethyl)-1H-quinolin-2-one;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-1H-quinolin-2-one;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-1H-quinolin-2-one;hydrochloride is Cl.NCc1cc(=O)[nH]c2ccccc12.
What is the InChIKey of 4-(aminomethyl)-1H-quinolin-2-one;hydrochloride?
The InChIKey is CFDUUHMVBMEEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O.ClH/c11-6-7-5-10(13)12-9-4-2-1-3-8(7)9;/h1-5H,6,11H2,(H,12,13);1H.
What are the key properties of 4-(aminomethyl)-1H-quinolin-2-one;hydrochloride?
4-(aminomethyl)-1H-quinolin-2-one;hydrochloride has a molecular weight of 210.66 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1H-quinolin-2-one;hydrochloride is sourced from PubChem (CID 54595267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).