6-chloro-3-[2-(4-ethylpiperazin-1-yl)ethyliminomethyl]-4-hydroxy-1H-quinolin-2-one

C18H23ClN4O2 — CID 163415264

IUPAC6-chloro-3-[2-(4-ethylpiperazin-1-yl)ethyliminomethyl]-4-hydroxy-1H-quinolin-2-one
SMILESCCN1CCN(CC/N=C/c2c(O)c3cc(Cl)ccc3[nH]c2=O)CC1
InChIInChI=1S/C18H23ClN4O2/c1-2-22-7-9-23(10-8-22)6-5-20-12-15-17(24)14-11-13(19)3-4-16(14)21-18(15)25/h3-4,11-12H,2,5-10H2,1H3,(H2,21,24,25)/b20-12+
InChIKeyQZZWOBSTZTXKQJ-UDWIEESQSA-N
MW362.86 g/mol
LogP1.94
Rot. Bonds5

About 6-chloro-3-[2-(4-ethylpiperazin-1-yl)ethyliminomethyl]-4-hydroxy-1H-quinolin-2-one

6-chloro-3-[2-(4-ethylpiperazin-1-yl)ethyliminomethyl]-4-hydroxy-1H-quinolin-2-one (PubChem CID 163415264) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is 6-chloro-3-[2-(4-ethylpiperazin-1-yl)ethyliminomethyl]-4-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-[2-(4-ethylpiperazin-1-yl)ethyliminomethyl]-4-hydroxy-1H-quinolin-2-one
PubChem CID163415264
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC Name6-chloro-3-[2-(4-ethylpiperazin-1-yl)ethyliminomethyl]-4-hydroxy-1H-quinolin-2-one
SMILESCCN1CCN(CC/N=C/c2c(O)c3cc(Cl)ccc3[nH]c2=O)CC1
InChIInChI=1S/C18H23ClN4O2/c1-2-22-7-9-23(10-8-22)6-5-20-12-15-17(24)14-11-13(19)3-4-16(14)21-18(15)25/h3-4,11-12H,2,5-10H2,1H3,(H2,21,24,25)/b20-12+
InChIKeyQZZWOBSTZTXKQJ-UDWIEESQSA-N
XLogP1.94
TPSA71.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyliminomethyl]-6-methyl-1H-quinolin-2-one
CID 158571692
6-chloro-3-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-1H-quinolin-4-one
CID 696344
4-chloro-2-(2-piperazin-1-ylethyliminomethyl)phenol
CID 135659262
6-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carbonitrile
CID 54699044
5-chloro-3-[[4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol
CID 136996251
5-chloro-3-[2-(4-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol
CID 136996187
6-chloro-3-ethyl-1H-quinazoline-2,4-dione
CID 94075078
6-chloro-3-(ethylideneamino)-4-methyl-1H-quinolin-2-one
CID 143957657
2-[2-(4-ethylpiperazin-1-yl)ethyliminomethyl]-3-hydroxy-5-(4-pyridin-4-ylphenyl)cyclohex-2-en-1-one
CID 163690719
(6-chloro-2-methyl-1H-indol-3-yl)-(4-ethylpiperazin-1-yl)methanone
CID 110849920
3-hydroxy-4-(3-pyrrolidin-1-ylpropyliminomethyl)-2H-isoquinolin-1-one
CID 136529815
[1-(5-chloro-1H-indol-3-yl)cyclopropyl]-(4-ethylpiperazin-1-yl)methanone
CID 113210923

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-(4-ethylpiperazin-1-yl)ethyliminomethyl]-4-hydroxy-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-[2-(4-ethylpiperazin-1-yl)ethyliminomethyl]-4-hydroxy-1H-quinolin-2-one (CID 163415264) is 6-chloro-3-[2-(4-ethylpiperazin-1-yl)ethyliminomethyl]-4-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-[2-(4-ethylpiperazin-1-yl)ethyliminomethyl]-4-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-[2-(4-ethylpiperazin-1-yl)ethyliminomethyl]-4-hydroxy-1H-quinolin-2-one is CCN1CCN(CC/N=C/c2c(O)c3cc(Cl)ccc3[nH]c2=O)CC1.
What is the InChIKey of 6-chloro-3-[2-(4-ethylpiperazin-1-yl)ethyliminomethyl]-4-hydroxy-1H-quinolin-2-one?
The InChIKey is QZZWOBSTZTXKQJ-UDWIEESQSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c1-2-22-7-9-23(10-8-22)6-5-20-12-15-17(24)14-11-13(19)3-4-16(14)21-18(15)25/h3-4,11-12H,2,5-10H2,1H3,(H2,21,24,25)/b20-12+.
What are the key properties of 6-chloro-3-[2-(4-ethylpiperazin-1-yl)ethyliminomethyl]-4-hydroxy-1H-quinolin-2-one?
6-chloro-3-[2-(4-ethylpiperazin-1-yl)ethyliminomethyl]-4-hydroxy-1H-quinolin-2-one has a molecular weight of 362.86 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-(4-ethylpiperazin-1-yl)ethyliminomethyl]-4-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 163415264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).