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

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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).