5-[3-(benzylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride

C19H23ClN2O3 — CID 3040187

IUPAC5-[3-(benzylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
SMILESCl.O=C1CCc2c(cccc2OCC(O)CNCc2ccccc2)N1
InChIInChI=1S/C19H22N2O3.ClH/c22-15(12-20-11-14-5-2-1-3-6-14)13-24-18-8-4-7-17-16(18)9-10-19(23)21-17;/h1-8,15,20,22H,9-13H2,(H,21,23);1H
InChIKeyJUPBEVBGFDNTGM-UHFFFAOYSA-N
MW362.86 g/mol
LogP2.52
Rot. Bonds7

About 5-[3-(benzylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride

5-[3-(benzylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride (PubChem CID 3040187) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is 5-[3-(benzylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride.

Molecular Properties

Compound Name5-[3-(benzylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
PubChem CID3040187
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC Name5-[3-(benzylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
SMILESCl.O=C1CCc2c(cccc2OCC(O)CNCc2ccccc2)N1
InChIInChI=1S/C19H22N2O3.ClH/c22-15(12-20-11-14-5-2-1-3-6-14)13-24-18-8-4-7-17-16(18)9-10-19(23)21-17;/h1-8,15,20,22H,9-13H2,(H,21,23);1H
InChIKeyJUPBEVBGFDNTGM-UHFFFAOYSA-N
XLogP2.52
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(benzylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The IUPAC name of 5-[3-(benzylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride (CID 3040187) is 5-[3-(benzylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride.
What is the SMILES notation for 5-[3-(benzylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The canonical SMILES for 5-[3-(benzylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride is Cl.O=C1CCc2c(cccc2OCC(O)CNCc2ccccc2)N1.
What is the InChIKey of 5-[3-(benzylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The InChIKey is JUPBEVBGFDNTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3.ClH/c22-15(12-20-11-14-5-2-1-3-6-14)13-24-18-8-4-7-17-16(18)9-10-19(23)21-17;/h1-8,15,20,22H,9-13H2,(H,21,23);1H.
What are the key properties of 5-[3-(benzylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
5-[3-(benzylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride has a molecular weight of 362.86 g/mol, XLogP of 2.52, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(benzylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride is sourced from PubChem (CID 3040187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).