4-(4-acetylpiperazin-1-yl)-1-benzyl-6-chloro-2-oxo-1,8-naphthyridine-3-carbonitrile

C22H20ClN5O2 — CID 143011038

IUPAC4-(4-acetylpiperazin-1-yl)-1-benzyl-6-chloro-2-oxo-1,8-naphthyridine-3-carbonitrile
SMILESCC(=O)N1CCN(c2c(C#N)c(=O)n(Cc3ccccc3)c3ncc(Cl)cc23)CC1
InChIInChI=1S/C22H20ClN5O2/c1-15(29)26-7-9-27(10-8-26)20-18-11-17(23)13-25-21(18)28(22(30)19(20)12-24)14-16-5-3-2-4-6-16/h2-6,11,13H,7-10,14H2,1H3
InChIKeyBNGIZSMSKVCPAO-UHFFFAOYSA-N
MW421.89 g/mol
LogP2.64
Rot. Bonds3

About 4-(4-acetylpiperazin-1-yl)-1-benzyl-6-chloro-2-oxo-1,8-naphthyridine-3-carbonitrile

4-(4-acetylpiperazin-1-yl)-1-benzyl-6-chloro-2-oxo-1,8-naphthyridine-3-carbonitrile (PubChem CID 143011038) has the molecular formula C22H20ClN5O2 and a molecular weight of 421.89 g/mol. Its IUPAC name is 4-(4-acetylpiperazin-1-yl)-1-benzyl-6-chloro-2-oxo-1,8-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-acetylpiperazin-1-yl)-1-benzyl-6-chloro-2-oxo-1,8-naphthyridine-3-carbonitrile
PubChem CID143011038
Molecular FormulaC22H20ClN5O2
Molecular Weight421.89 g/mol
Exact Mass421.13
IUPAC Name4-(4-acetylpiperazin-1-yl)-1-benzyl-6-chloro-2-oxo-1,8-naphthyridine-3-carbonitrile
SMILESCC(=O)N1CCN(c2c(C#N)c(=O)n(Cc3ccccc3)c3ncc(Cl)cc23)CC1
InChIInChI=1S/C22H20ClN5O2/c1-15(29)26-7-9-27(10-8-26)20-18-11-17(23)13-25-21(18)28(22(30)19(20)12-24)14-16-5-3-2-4-6-16/h2-6,11,13H,7-10,14H2,1H3
InChIKeyBNGIZSMSKVCPAO-UHFFFAOYSA-N
XLogP2.64
TPSA82.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.89
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(4-acetylpiperazin-1-yl)-1-benzyl-6-chloro-2-oxo-1,8-naphthyridine-3-carbonitrile 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 4-(4-acetylpiperazin-1-yl)-1-benzyl-6-chloro-2-oxo-1,8-naphthyridine-3-carbonitrile?
The IUPAC name of 4-(4-acetylpiperazin-1-yl)-1-benzyl-6-chloro-2-oxo-1,8-naphthyridine-3-carbonitrile (CID 143011038) is 4-(4-acetylpiperazin-1-yl)-1-benzyl-6-chloro-2-oxo-1,8-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-acetylpiperazin-1-yl)-1-benzyl-6-chloro-2-oxo-1,8-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-(4-acetylpiperazin-1-yl)-1-benzyl-6-chloro-2-oxo-1,8-naphthyridine-3-carbonitrile is CC(=O)N1CCN(c2c(C#N)c(=O)n(Cc3ccccc3)c3ncc(Cl)cc23)CC1.
What is the InChIKey of 4-(4-acetylpiperazin-1-yl)-1-benzyl-6-chloro-2-oxo-1,8-naphthyridine-3-carbonitrile?
The InChIKey is BNGIZSMSKVCPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O2/c1-15(29)26-7-9-27(10-8-26)20-18-11-17(23)13-25-21(18)28(22(30)19(20)12-24)14-16-5-3-2-4-6-16/h2-6,11,13H,7-10,14H2,1H3.
What are the key properties of 4-(4-acetylpiperazin-1-yl)-1-benzyl-6-chloro-2-oxo-1,8-naphthyridine-3-carbonitrile?
4-(4-acetylpiperazin-1-yl)-1-benzyl-6-chloro-2-oxo-1,8-naphthyridine-3-carbonitrile has a molecular weight of 421.89 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazin-1-yl)-1-benzyl-6-chloro-2-oxo-1,8-naphthyridine-3-carbonitrile is sourced from PubChem (CID 143011038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).