5-(3-amino-2-hydroxypropoxy)-8-prop-2-ynoxy-3,4-dihydro-1H-quinolin-2-one;hydrochloride

C15H19ClN2O4 — CID 20570350

IUPAC5-(3-amino-2-hydroxypropoxy)-8-prop-2-ynoxy-3,4-dihydro-1H-quinolin-2-one;hydrochloride
SMILESC#CCOc1ccc(OCC(O)CN)c2c1NC(=O)CC2.Cl
InChIInChI=1S/C15H18N2O4.ClH/c1-2-7-20-13-5-4-12(21-9-10(18)8-16)11-3-6-14(19)17-15(11)13;/h1,4-5,10,18H,3,6-9,16H2,(H,17,19);1H
InChIKeyWMBNSMKKEDQBNK-UHFFFAOYSA-N
MW326.78 g/mol
LogP0.70
Rot. Bonds6

About 5-(3-amino-2-hydroxypropoxy)-8-prop-2-ynoxy-3,4-dihydro-1H-quinolin-2-one;hydrochloride

5-(3-amino-2-hydroxypropoxy)-8-prop-2-ynoxy-3,4-dihydro-1H-quinolin-2-one;hydrochloride (PubChem CID 20570350) has the molecular formula C15H19ClN2O4 and a molecular weight of 326.78 g/mol. Its IUPAC name is 5-(3-amino-2-hydroxypropoxy)-8-prop-2-ynoxy-3,4-dihydro-1H-quinolin-2-one;hydrochloride.

Molecular Properties

Compound Name5-(3-amino-2-hydroxypropoxy)-8-prop-2-ynoxy-3,4-dihydro-1H-quinolin-2-one;hydrochloride
PubChem CID20570350
Molecular FormulaC15H19ClN2O4
Molecular Weight326.78 g/mol
Exact Mass326.10
IUPAC Name5-(3-amino-2-hydroxypropoxy)-8-prop-2-ynoxy-3,4-dihydro-1H-quinolin-2-one;hydrochloride
SMILESC#CCOc1ccc(OCC(O)CN)c2c1NC(=O)CC2.Cl
InChIInChI=1S/C15H18N2O4.ClH/c1-2-7-20-13-5-4-12(21-9-10(18)8-16)11-3-6-14(19)17-15(11)13;/h1,4-5,10,18H,3,6-9,16H2,(H,17,19);1H
InChIKeyWMBNSMKKEDQBNK-UHFFFAOYSA-N
XLogP0.70
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-2-hydroxypropoxy)-8-prop-2-ynoxy-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The IUPAC name of 5-(3-amino-2-hydroxypropoxy)-8-prop-2-ynoxy-3,4-dihydro-1H-quinolin-2-one;hydrochloride (CID 20570350) is 5-(3-amino-2-hydroxypropoxy)-8-prop-2-ynoxy-3,4-dihydro-1H-quinolin-2-one;hydrochloride.
What is the SMILES notation for 5-(3-amino-2-hydroxypropoxy)-8-prop-2-ynoxy-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The canonical SMILES for 5-(3-amino-2-hydroxypropoxy)-8-prop-2-ynoxy-3,4-dihydro-1H-quinolin-2-one;hydrochloride is C#CCOc1ccc(OCC(O)CN)c2c1NC(=O)CC2.Cl.
What is the InChIKey of 5-(3-amino-2-hydroxypropoxy)-8-prop-2-ynoxy-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The InChIKey is WMBNSMKKEDQBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4.ClH/c1-2-7-20-13-5-4-12(21-9-10(18)8-16)11-3-6-14(19)17-15(11)13;/h1,4-5,10,18H,3,6-9,16H2,(H,17,19);1H.
What are the key properties of 5-(3-amino-2-hydroxypropoxy)-8-prop-2-ynoxy-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
5-(3-amino-2-hydroxypropoxy)-8-prop-2-ynoxy-3,4-dihydro-1H-quinolin-2-one;hydrochloride has a molecular weight of 326.78 g/mol, XLogP of 0.70, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-2-hydroxypropoxy)-8-prop-2-ynoxy-3,4-dihydro-1H-quinolin-2-one;hydrochloride is sourced from PubChem (CID 20570350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).