9-chloro-N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydroacridine-3-carboxamide

C21H26ClN3O — CID 6619646

IUPAC9-chloro-N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
SMILESO=C(NCCCN1CCCC1)c1ccc2c(Cl)c3c(nc2c1)CCCC3
InChIInChI=1S/C21H26ClN3O/c22-20-16-6-1-2-7-18(16)24-19-14-15(8-9-17(19)20)21(26)23-10-5-13-25-11-3-4-12-25/h8-9,14H,1-7,10-13H2,(H,23,26)
InChIKeyNDVNRMFVHPDGAY-UHFFFAOYSA-N
MW371.91 g/mol
LogP3.98
Rot. Bonds5

About 9-chloro-N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydroacridine-3-carboxamide

9-chloro-N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydroacridine-3-carboxamide (PubChem CID 6619646) has the molecular formula C21H26ClN3O and a molecular weight of 371.91 g/mol. Its IUPAC name is 9-chloro-N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydroacridine-3-carboxamide.

Molecular Properties

Compound Name9-chloro-N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
PubChem CID6619646
Molecular FormulaC21H26ClN3O
Molecular Weight371.91 g/mol
Exact Mass371.18
IUPAC Name9-chloro-N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
SMILESO=C(NCCCN1CCCC1)c1ccc2c(Cl)c3c(nc2c1)CCCC3
InChIInChI=1S/C21H26ClN3O/c22-20-16-6-1-2-7-18(16)24-19-14-15(8-9-17(19)20)21(26)23-10-5-13-25-11-3-4-12-25/h8-9,14H,1-7,10-13H2,(H,23,26)
InChIKeyNDVNRMFVHPDGAY-UHFFFAOYSA-N
XLogP3.98
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydroacridine-3-carboxamide?
The IUPAC name of 9-chloro-N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydroacridine-3-carboxamide (CID 6619646) is 9-chloro-N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydroacridine-3-carboxamide.
What is the SMILES notation for 9-chloro-N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydroacridine-3-carboxamide?
The canonical SMILES for 9-chloro-N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydroacridine-3-carboxamide is O=C(NCCCN1CCCC1)c1ccc2c(Cl)c3c(nc2c1)CCCC3.
What is the InChIKey of 9-chloro-N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydroacridine-3-carboxamide?
The InChIKey is NDVNRMFVHPDGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O/c22-20-16-6-1-2-7-18(16)24-19-14-15(8-9-17(19)20)21(26)23-10-5-13-25-11-3-4-12-25/h8-9,14H,1-7,10-13H2,(H,23,26).
What are the key properties of 9-chloro-N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydroacridine-3-carboxamide?
9-chloro-N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydroacridine-3-carboxamide has a molecular weight of 371.91 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydroacridine-3-carboxamide is sourced from PubChem (CID 6619646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).