N-[4-[[2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl]oxy]butyl]acetamide

C22H21ClN4O3 — CID 19867677

IUPACN-[4-[[2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl]oxy]butyl]acetamide
SMILESCC(=O)NCCCCOC1c2ccccc2C(=O)N1c1ccc2ccc(Cl)nc2n1
InChIInChI=1S/C22H21ClN4O3/c1-14(28)24-12-4-5-13-30-22-17-7-3-2-6-16(17)21(29)27(22)19-11-9-15-8-10-18(23)25-20(15)26-19/h2-3,6-11,22H,4-5,12-13H2,1H3,(H,24,28)
InChIKeyKRVFWZURGHWOBL-UHFFFAOYSA-N
MW424.89 g/mol
LogP3.88
Rot. Bonds7

About N-[4-[[2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl]oxy]butyl]acetamide

N-[4-[[2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl]oxy]butyl]acetamide (PubChem CID 19867677) has the molecular formula C22H21ClN4O3 and a molecular weight of 424.89 g/mol. Its IUPAC name is N-[4-[[2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl]oxy]butyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl]oxy]butyl]acetamide
PubChem CID19867677
Molecular FormulaC22H21ClN4O3
Molecular Weight424.89 g/mol
Exact Mass424.13
IUPAC NameN-[4-[[2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl]oxy]butyl]acetamide
SMILESCC(=O)NCCCCOC1c2ccccc2C(=O)N1c1ccc2ccc(Cl)nc2n1
InChIInChI=1S/C22H21ClN4O3/c1-14(28)24-12-4-5-13-30-22-17-7-3-2-6-16(17)21(29)27(22)19-11-9-15-8-10-18(23)25-20(15)26-19/h2-3,6-11,22H,4-5,12-13H2,1H3,(H,24,28)
InChIKeyKRVFWZURGHWOBL-UHFFFAOYSA-N
XLogP3.88
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.89
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[[2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl]oxy]butyl]acetamide 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 N-[4-[[2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl]oxy]butyl]acetamide?
The IUPAC name of N-[4-[[2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl]oxy]butyl]acetamide (CID 19867677) is N-[4-[[2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl]oxy]butyl]acetamide.
What is the SMILES notation for N-[4-[[2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl]oxy]butyl]acetamide?
The canonical SMILES for N-[4-[[2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl]oxy]butyl]acetamide is CC(=O)NCCCCOC1c2ccccc2C(=O)N1c1ccc2ccc(Cl)nc2n1.
What is the InChIKey of N-[4-[[2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl]oxy]butyl]acetamide?
The InChIKey is KRVFWZURGHWOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O3/c1-14(28)24-12-4-5-13-30-22-17-7-3-2-6-16(17)21(29)27(22)19-11-9-15-8-10-18(23)25-20(15)26-19/h2-3,6-11,22H,4-5,12-13H2,1H3,(H,24,28).
What are the key properties of N-[4-[[2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl]oxy]butyl]acetamide?
N-[4-[[2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl]oxy]butyl]acetamide has a molecular weight of 424.89 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl]oxy]butyl]acetamide is sourced from PubChem (CID 19867677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).