11-(4-methylpiperazine-1-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one

C18H19N5O2 — CID 14054144

IUPAC11-(4-methylpiperazine-1-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
SMILESCN1CCN(C(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1
InChIInChI=1S/C18H19N5O2/c1-21-9-11-22(12-10-21)18(25)23-15-7-3-2-5-13(15)17(24)20-14-6-4-8-19-16(14)23/h2-8H,9-12H2,1H3,(H,20,24)
InChIKeyUXJLPZWXTAWFIT-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.15
Rot. Bonds

About 11-(4-methylpiperazine-1-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one

11-(4-methylpiperazine-1-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one (PubChem CID 14054144) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 11-(4-methylpiperazine-1-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name11-(4-methylpiperazine-1-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
PubChem CID14054144
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name11-(4-methylpiperazine-1-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
SMILESCN1CCN(C(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1
InChIInChI=1S/C18H19N5O2/c1-21-9-11-22(12-10-21)18(25)23-15-7-3-2-5-13(15)17(24)20-14-6-4-8-19-16(14)23/h2-8H,9-12H2,1H3,(H,20,24)
InChIKeyUXJLPZWXTAWFIT-UHFFFAOYSA-N
XLogP2.15
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 11-(4-methylpiperazine-1-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one?
The IUPAC name of 11-(4-methylpiperazine-1-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one (CID 14054144) is 11-(4-methylpiperazine-1-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one.
What is the SMILES notation for 11-(4-methylpiperazine-1-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one?
The canonical SMILES for 11-(4-methylpiperazine-1-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one is CN1CCN(C(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1.
What is the InChIKey of 11-(4-methylpiperazine-1-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one?
The InChIKey is UXJLPZWXTAWFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-21-9-11-22(12-10-21)18(25)23-15-7-3-2-5-13(15)17(24)20-14-6-4-8-19-16(14)23/h2-8H,9-12H2,1H3,(H,20,24).
What are the key properties of 11-(4-methylpiperazine-1-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one?
11-(4-methylpiperazine-1-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one has a molecular weight of 337.38 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-methylpiperazine-1-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one is sourced from PubChem (CID 14054144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).