6-methyl-11-(3-pyrrolidin-1-ylpropyl)pyrido[3,2-c][1,5]benzodiazepin-5-one;hydrochloride

C20H25ClN4O — CID 21438325

IUPAC6-methyl-11-(3-pyrrolidin-1-ylpropyl)pyrido[3,2-c][1,5]benzodiazepin-5-one;hydrochloride
SMILESCN1C(=O)c2cccnc2N(CCCN2CCCC2)c2ccccc21.Cl
InChIInChI=1S/C20H24N4O.ClH/c1-22-17-9-2-3-10-18(17)24(15-7-14-23-12-4-5-13-23)19-16(20(22)25)8-6-11-21-19;/h2-3,6,8-11H,4-5,7,12-15H2,1H3;1H
InChIKeyXSLULAOUFFESEX-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.72
Rot. Bonds4

About 6-methyl-11-(3-pyrrolidin-1-ylpropyl)pyrido[3,2-c][1,5]benzodiazepin-5-one;hydrochloride

6-methyl-11-(3-pyrrolidin-1-ylpropyl)pyrido[3,2-c][1,5]benzodiazepin-5-one;hydrochloride (PubChem CID 21438325) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is 6-methyl-11-(3-pyrrolidin-1-ylpropyl)pyrido[3,2-c][1,5]benzodiazepin-5-one;hydrochloride.

Molecular Properties

Compound Name6-methyl-11-(3-pyrrolidin-1-ylpropyl)pyrido[3,2-c][1,5]benzodiazepin-5-one;hydrochloride
PubChem CID21438325
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC Name6-methyl-11-(3-pyrrolidin-1-ylpropyl)pyrido[3,2-c][1,5]benzodiazepin-5-one;hydrochloride
SMILESCN1C(=O)c2cccnc2N(CCCN2CCCC2)c2ccccc21.Cl
InChIInChI=1S/C20H24N4O.ClH/c1-22-17-9-2-3-10-18(17)24(15-7-14-23-12-4-5-13-23)19-16(20(22)25)8-6-11-21-19;/h2-3,6,8-11H,4-5,7,12-15H2,1H3;1H
InChIKeyXSLULAOUFFESEX-UHFFFAOYSA-N
XLogP3.72
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-methyl-11-(3-pyrrolidin-1-ylpropyl)pyrido[3,2-c][1,5]benzodiazepin-5-one;hydrochloride 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 6-methyl-11-(3-pyrrolidin-1-ylpropyl)pyrido[3,2-c][1,5]benzodiazepin-5-one;hydrochloride?
The IUPAC name of 6-methyl-11-(3-pyrrolidin-1-ylpropyl)pyrido[3,2-c][1,5]benzodiazepin-5-one;hydrochloride (CID 21438325) is 6-methyl-11-(3-pyrrolidin-1-ylpropyl)pyrido[3,2-c][1,5]benzodiazepin-5-one;hydrochloride.
What is the SMILES notation for 6-methyl-11-(3-pyrrolidin-1-ylpropyl)pyrido[3,2-c][1,5]benzodiazepin-5-one;hydrochloride?
The canonical SMILES for 6-methyl-11-(3-pyrrolidin-1-ylpropyl)pyrido[3,2-c][1,5]benzodiazepin-5-one;hydrochloride is CN1C(=O)c2cccnc2N(CCCN2CCCC2)c2ccccc21.Cl.
What is the InChIKey of 6-methyl-11-(3-pyrrolidin-1-ylpropyl)pyrido[3,2-c][1,5]benzodiazepin-5-one;hydrochloride?
The InChIKey is XSLULAOUFFESEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O.ClH/c1-22-17-9-2-3-10-18(17)24(15-7-14-23-12-4-5-13-23)19-16(20(22)25)8-6-11-21-19;/h2-3,6,8-11H,4-5,7,12-15H2,1H3;1H.
What are the key properties of 6-methyl-11-(3-pyrrolidin-1-ylpropyl)pyrido[3,2-c][1,5]benzodiazepin-5-one;hydrochloride?
6-methyl-11-(3-pyrrolidin-1-ylpropyl)pyrido[3,2-c][1,5]benzodiazepin-5-one;hydrochloride has a molecular weight of 372.90 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-11-(3-pyrrolidin-1-ylpropyl)pyrido[3,2-c][1,5]benzodiazepin-5-one;hydrochloride is sourced from PubChem (CID 21438325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).