8-(2-hydroxyethoxy)-5-[2-hydroxy-3-(prop-2-enylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one

C17H24N2O5 — CID 20570433

IUPAC8-(2-hydroxyethoxy)-5-[2-hydroxy-3-(prop-2-enylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESC=CCNCC(O)COc1ccc(OCCO)c2c1CCC(=O)N2
InChIInChI=1S/C17H24N2O5/c1-2-7-18-10-12(21)11-24-14-4-5-15(23-9-8-20)17-13(14)3-6-16(22)19-17/h2,4-5,12,18,20-21H,1,3,6-11H2,(H,19,22)
InChIKeyZCPYLBCNXVHVPR-UHFFFAOYSA-N
MW336.39 g/mol
LogP0.46
Rot. Bonds10

About 8-(2-hydroxyethoxy)-5-[2-hydroxy-3-(prop-2-enylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one

8-(2-hydroxyethoxy)-5-[2-hydroxy-3-(prop-2-enylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 20570433) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is 8-(2-hydroxyethoxy)-5-[2-hydroxy-3-(prop-2-enylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-(2-hydroxyethoxy)-5-[2-hydroxy-3-(prop-2-enylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID20570433
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name8-(2-hydroxyethoxy)-5-[2-hydroxy-3-(prop-2-enylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESC=CCNCC(O)COc1ccc(OCCO)c2c1CCC(=O)N2
InChIInChI=1S/C17H24N2O5/c1-2-7-18-10-12(21)11-24-14-4-5-15(23-9-8-20)17-13(14)3-6-16(22)19-17/h2,4-5,12,18,20-21H,1,3,6-11H2,(H,19,22)
InChIKeyZCPYLBCNXVHVPR-UHFFFAOYSA-N
XLogP0.46
TPSA100.05 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 50.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(2-hydroxyethoxy)-5-[2-hydroxy-3-(prop-2-enylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 8-(2-hydroxyethoxy)-5-[2-hydroxy-3-(prop-2-enylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one (CID 20570433) is 8-(2-hydroxyethoxy)-5-[2-hydroxy-3-(prop-2-enylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 8-(2-hydroxyethoxy)-5-[2-hydroxy-3-(prop-2-enylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 8-(2-hydroxyethoxy)-5-[2-hydroxy-3-(prop-2-enylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one is C=CCNCC(O)COc1ccc(OCCO)c2c1CCC(=O)N2.
What is the InChIKey of 8-(2-hydroxyethoxy)-5-[2-hydroxy-3-(prop-2-enylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ZCPYLBCNXVHVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-2-7-18-10-12(21)11-24-14-4-5-15(23-9-8-20)17-13(14)3-6-16(22)19-17/h2,4-5,12,18,20-21H,1,3,6-11H2,(H,19,22).
What are the key properties of 8-(2-hydroxyethoxy)-5-[2-hydroxy-3-(prop-2-enylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one?
8-(2-hydroxyethoxy)-5-[2-hydroxy-3-(prop-2-enylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 336.39 g/mol, XLogP of 0.46, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-hydroxyethoxy)-5-[2-hydroxy-3-(prop-2-enylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 20570433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).