[2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl] 4-(2-hydroxyethyl)piperazine-1-carboxylate

C23H22ClN5O4 — CID 21422088

IUPAC[2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl] 4-(2-hydroxyethyl)piperazine-1-carboxylate
SMILESO=C(OC1c2ccccc2C(=O)N1c1ccc2ccc(Cl)nc2n1)N1CCN(CCO)CC1
InChIInChI=1S/C23H22ClN5O4/c24-18-7-5-15-6-8-19(26-20(15)25-18)29-21(31)16-3-1-2-4-17(16)22(29)33-23(32)28-11-9-27(10-12-28)13-14-30/h1-8,22,30H,9-14H2
InChIKeyPZJZWJONRJMICI-UHFFFAOYSA-N
MW467.91 g/mol
LogP2.69
Rot. Bonds4

About [2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl] 4-(2-hydroxyethyl)piperazine-1-carboxylate

[2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl] 4-(2-hydroxyethyl)piperazine-1-carboxylate (PubChem CID 21422088) has the molecular formula C23H22ClN5O4 and a molecular weight of 467.91 g/mol. Its IUPAC name is [2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl] 4-(2-hydroxyethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Name[2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl] 4-(2-hydroxyethyl)piperazine-1-carboxylate
PubChem CID21422088
Molecular FormulaC23H22ClN5O4
Molecular Weight467.91 g/mol
Exact Mass467.14
IUPAC Name[2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl] 4-(2-hydroxyethyl)piperazine-1-carboxylate
SMILESO=C(OC1c2ccccc2C(=O)N1c1ccc2ccc(Cl)nc2n1)N1CCN(CCO)CC1
InChIInChI=1S/C23H22ClN5O4/c24-18-7-5-15-6-8-19(26-20(15)25-18)29-21(31)16-3-1-2-4-17(16)22(29)33-23(32)28-11-9-27(10-12-28)13-14-30/h1-8,22,30H,9-14H2
InChIKeyPZJZWJONRJMICI-UHFFFAOYSA-N
XLogP2.69
TPSA99.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.91
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze [2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl] 4-(2-hydroxyethyl)piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl] 4-(2-hydroxyethyl)piperazine-1-carboxylate?
The IUPAC name of [2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl] 4-(2-hydroxyethyl)piperazine-1-carboxylate (CID 21422088) is [2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl] 4-(2-hydroxyethyl)piperazine-1-carboxylate.
What is the SMILES notation for [2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl] 4-(2-hydroxyethyl)piperazine-1-carboxylate?
The canonical SMILES for [2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl] 4-(2-hydroxyethyl)piperazine-1-carboxylate is O=C(OC1c2ccccc2C(=O)N1c1ccc2ccc(Cl)nc2n1)N1CCN(CCO)CC1.
What is the InChIKey of [2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl] 4-(2-hydroxyethyl)piperazine-1-carboxylate?
The InChIKey is PZJZWJONRJMICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O4/c24-18-7-5-15-6-8-19(26-20(15)25-18)29-21(31)16-3-1-2-4-17(16)22(29)33-23(32)28-11-9-27(10-12-28)13-14-30/h1-8,22,30H,9-14H2.
What are the key properties of [2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl] 4-(2-hydroxyethyl)piperazine-1-carboxylate?
[2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl] 4-(2-hydroxyethyl)piperazine-1-carboxylate has a molecular weight of 467.91 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl] 4-(2-hydroxyethyl)piperazine-1-carboxylate is sourced from PubChem (CID 21422088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).