8-chloro-3-methyl-10-oxo-N-(3-pyrrolidin-1-ylpropyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide

C20H24ClN3O3 — CID 20907352

IUPAC8-chloro-3-methyl-10-oxo-N-(3-pyrrolidin-1-ylpropyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide
SMILESCC1Cn2cc(C(=O)NCCCN3CCCC3)c(=O)c3c(Cl)ccc(c32)O1
InChIInChI=1S/C20H24ClN3O3/c1-13-11-24-12-14(20(26)22-7-4-10-23-8-2-3-9-23)19(25)17-15(21)5-6-16(27-13)18(17)24/h5-6,12-13H,2-4,7-11H2,1H3,(H,22,26)
InChIKeyGXRQQPNGTRQYBB-UHFFFAOYSA-N
MW389.88 g/mol
LogP2.65
Rot. Bonds5

About 8-chloro-3-methyl-10-oxo-N-(3-pyrrolidin-1-ylpropyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide

8-chloro-3-methyl-10-oxo-N-(3-pyrrolidin-1-ylpropyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide (PubChem CID 20907352) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is 8-chloro-3-methyl-10-oxo-N-(3-pyrrolidin-1-ylpropyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide.

Molecular Properties

Compound Name8-chloro-3-methyl-10-oxo-N-(3-pyrrolidin-1-ylpropyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide
PubChem CID20907352
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Name8-chloro-3-methyl-10-oxo-N-(3-pyrrolidin-1-ylpropyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide
SMILESCC1Cn2cc(C(=O)NCCCN3CCCC3)c(=O)c3c(Cl)ccc(c32)O1
InChIInChI=1S/C20H24ClN3O3/c1-13-11-24-12-14(20(26)22-7-4-10-23-8-2-3-9-23)19(25)17-15(21)5-6-16(27-13)18(17)24/h5-6,12-13H,2-4,7-11H2,1H3,(H,22,26)
InChIKeyGXRQQPNGTRQYBB-UHFFFAOYSA-N
XLogP2.65
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-chloro-3-methyl-10-oxo-N-(3-pyrrolidin-1-ylpropyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide 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 8-chloro-3-methyl-10-oxo-N-(3-pyrrolidin-1-ylpropyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide?
The IUPAC name of 8-chloro-3-methyl-10-oxo-N-(3-pyrrolidin-1-ylpropyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide (CID 20907352) is 8-chloro-3-methyl-10-oxo-N-(3-pyrrolidin-1-ylpropyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide.
What is the SMILES notation for 8-chloro-3-methyl-10-oxo-N-(3-pyrrolidin-1-ylpropyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide?
The canonical SMILES for 8-chloro-3-methyl-10-oxo-N-(3-pyrrolidin-1-ylpropyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide is CC1Cn2cc(C(=O)NCCCN3CCCC3)c(=O)c3c(Cl)ccc(c32)O1.
What is the InChIKey of 8-chloro-3-methyl-10-oxo-N-(3-pyrrolidin-1-ylpropyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide?
The InChIKey is GXRQQPNGTRQYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c1-13-11-24-12-14(20(26)22-7-4-10-23-8-2-3-9-23)19(25)17-15(21)5-6-16(27-13)18(17)24/h5-6,12-13H,2-4,7-11H2,1H3,(H,22,26).
What are the key properties of 8-chloro-3-methyl-10-oxo-N-(3-pyrrolidin-1-ylpropyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide?
8-chloro-3-methyl-10-oxo-N-(3-pyrrolidin-1-ylpropyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide has a molecular weight of 389.88 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-methyl-10-oxo-N-(3-pyrrolidin-1-ylpropyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxamide is sourced from PubChem (CID 20907352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).