11-[2-(4-methylpiperazin-1-yl)acetyl]-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one

C19H21N5O2 — CID 14054145

IUPAC11-[2-(4-methylpiperazin-1-yl)acetyl]-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one
SMILESCN1CCN(CC(=O)N2c3ccccc3NC(=O)c3cccnc32)CC1
InChIInChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-6-15(16)21-19(26)14-5-4-8-20-18(14)24/h2-8H,9-13H2,1H3,(H,21,26)
InChIKeySUGDKHZVVBQAHP-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.56
Rot. Bonds2

About 11-[2-(4-methylpiperazin-1-yl)acetyl]-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one

11-[2-(4-methylpiperazin-1-yl)acetyl]-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one (PubChem CID 14054145) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 11-[2-(4-methylpiperazin-1-yl)acetyl]-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one.

Molecular Properties

Compound Name11-[2-(4-methylpiperazin-1-yl)acetyl]-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one
PubChem CID14054145
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name11-[2-(4-methylpiperazin-1-yl)acetyl]-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one
SMILESCN1CCN(CC(=O)N2c3ccccc3NC(=O)c3cccnc32)CC1
InChIInChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-6-15(16)21-19(26)14-5-4-8-20-18(14)24/h2-8H,9-13H2,1H3,(H,21,26)
InChIKeySUGDKHZVVBQAHP-UHFFFAOYSA-N
XLogP1.56
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 11-[2-(4-methylpiperazin-1-yl)acetyl]-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one?
The IUPAC name of 11-[2-(4-methylpiperazin-1-yl)acetyl]-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one (CID 14054145) is 11-[2-(4-methylpiperazin-1-yl)acetyl]-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one.
What is the SMILES notation for 11-[2-(4-methylpiperazin-1-yl)acetyl]-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one?
The canonical SMILES for 11-[2-(4-methylpiperazin-1-yl)acetyl]-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one is CN1CCN(CC(=O)N2c3ccccc3NC(=O)c3cccnc32)CC1.
What is the InChIKey of 11-[2-(4-methylpiperazin-1-yl)acetyl]-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one?
The InChIKey is SUGDKHZVVBQAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-6-15(16)21-19(26)14-5-4-8-20-18(14)24/h2-8H,9-13H2,1H3,(H,21,26).
What are the key properties of 11-[2-(4-methylpiperazin-1-yl)acetyl]-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one?
11-[2-(4-methylpiperazin-1-yl)acetyl]-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one has a molecular weight of 351.41 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[2-(4-methylpiperazin-1-yl)acetyl]-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one is sourced from PubChem (CID 14054145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).