4-hydroxy-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyliminomethyl]-6-methyl-1H-quinolin-2-one

C19H26N4O3 — CID 158571692

IUPAC4-hydroxy-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyliminomethyl]-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(/C=N/CCN3CCN(CCO)CC3)c(O)c2c1
InChIInChI=1S/C19H26N4O3/c1-14-2-3-17-15(12-14)18(25)16(19(26)21-17)13-20-4-5-22-6-8-23(9-7-22)10-11-24/h2-3,12-13,24H,4-11H2,1H3,(H2,21,25,26)/b20-13+
InChIKeyOOFDJJHYBBMBFK-DEDYPNTBSA-N
MW358.44 g/mol
LogP0.57
Rot. Bonds6

About 4-hydroxy-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyliminomethyl]-6-methyl-1H-quinolin-2-one

4-hydroxy-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyliminomethyl]-6-methyl-1H-quinolin-2-one (PubChem CID 158571692) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-hydroxy-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyliminomethyl]-6-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyliminomethyl]-6-methyl-1H-quinolin-2-one
PubChem CID158571692
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name4-hydroxy-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyliminomethyl]-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(/C=N/CCN3CCN(CCO)CC3)c(O)c2c1
InChIInChI=1S/C19H26N4O3/c1-14-2-3-17-15(12-14)18(25)16(19(26)21-17)13-20-4-5-22-6-8-23(9-7-22)10-11-24/h2-3,12-13,24H,4-11H2,1H3,(H2,21,25,26)/b20-13+
InChIKeyOOFDJJHYBBMBFK-DEDYPNTBSA-N
XLogP0.57
TPSA92.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyliminomethyl]-6-methyl-1H-quinolin-2-one?
The IUPAC name of 4-hydroxy-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyliminomethyl]-6-methyl-1H-quinolin-2-one (CID 158571692) is 4-hydroxy-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyliminomethyl]-6-methyl-1H-quinolin-2-one.
What is the SMILES notation for 4-hydroxy-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyliminomethyl]-6-methyl-1H-quinolin-2-one?
The canonical SMILES for 4-hydroxy-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyliminomethyl]-6-methyl-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)c(/C=N/CCN3CCN(CCO)CC3)c(O)c2c1.
What is the InChIKey of 4-hydroxy-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyliminomethyl]-6-methyl-1H-quinolin-2-one?
The InChIKey is OOFDJJHYBBMBFK-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-14-2-3-17-15(12-14)18(25)16(19(26)21-17)13-20-4-5-22-6-8-23(9-7-22)10-11-24/h2-3,12-13,24H,4-11H2,1H3,(H2,21,25,26)/b20-13+.
What are the key properties of 4-hydroxy-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyliminomethyl]-6-methyl-1H-quinolin-2-one?
4-hydroxy-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyliminomethyl]-6-methyl-1H-quinolin-2-one has a molecular weight of 358.44 g/mol, XLogP of 0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyliminomethyl]-6-methyl-1H-quinolin-2-one is sourced from PubChem (CID 158571692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).