8-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride

C15H23ClN2O3 — CID 3040185

IUPAC8-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
SMILESCC(C)NCC(O)COc1cccc2c1NC(=O)CC2.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-10(2)16-8-12(18)9-20-13-5-3-4-11-6-7-14(19)17-15(11)13;/h3-5,10,12,16,18H,6-9H2,1-2H3,(H,17,19);1H
InChIKeyLODHLGQSQVDRCY-UHFFFAOYSA-N
MW314.81 g/mol
LogP1.73
Rot. Bonds6

About 8-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride

8-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride (PubChem CID 3040185) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 8-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride.

Molecular Properties

Compound Name8-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
PubChem CID3040185
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name8-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
SMILESCC(C)NCC(O)COc1cccc2c1NC(=O)CC2.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-10(2)16-8-12(18)9-20-13-5-3-4-11-6-7-14(19)17-15(11)13;/h3-5,10,12,16,18H,6-9H2,1-2H3,(H,17,19);1H
InChIKeyLODHLGQSQVDRCY-UHFFFAOYSA-N
XLogP1.73
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 8-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride with MolForge

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Related Compounds

Carteolol
CID 2583
Carteolol Hydrochloride
CID 40127
Dabelotine
CID 177949
(-)-Carteolol
CID 6604410
8-Hydroxycarteolol
CID 124688
8-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one
CID 12961383
(3S)-3-amino-1-hydroxy-8-methoxy-3,4-dihydroquinolin-2-one
CID 53254677
2-ethyl-N-(5-methylhexan-2-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxamide
CID 60195832
2(1H)-Quinolinone, 3,4-dihydro-5-(2-hydroxy-3-((phenylmethyl)amino)propoxy)-, monohydrochloride
CID 3040187
2(1H)-Quinolinone, 3,4-dihydro-5-(3-(cyclohexylamino)-2-hydroxypropoxy)-, monohydrochloride
CID 3040189
2(1H)-Quinolinone, 3,4-dihydro-5-(3-(cyclohexylamino)-2-hydroxypropoxy)-1-ethyl-, monohydrochloride
CID 3040193
2(1H)-Quinolinone, 3,4-dihydro-5-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-8-(2-propenyloxy)-, monohydrochloride
CID 3049541

Frequently Asked Questions

What is the IUPAC name of 8-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The IUPAC name of 8-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride (CID 3040185) is 8-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride.
What is the SMILES notation for 8-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The canonical SMILES for 8-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride is CC(C)NCC(O)COc1cccc2c1NC(=O)CC2.Cl.
What is the InChIKey of 8-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The InChIKey is LODHLGQSQVDRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3.ClH/c1-10(2)16-8-12(18)9-20-13-5-3-4-11-6-7-14(19)17-15(11)13;/h3-5,10,12,16,18H,6-9H2,1-2H3,(H,17,19);1H.
What are the key properties of 8-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
8-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride has a molecular weight of 314.81 g/mol, XLogP of 1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride is sourced from PubChem (CID 3040185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).