1,3-diethyl-5-methyl-10H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one

C16H19N3O — CID 20515450

IUPAC1,3-diethyl-5-methyl-10H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one
SMILESCCc1cn(CC)c2c1Nc1ccccc1N(C)C2=O
InChIInChI=1S/C16H19N3O/c1-4-11-10-19(5-2)15-14(11)17-12-8-6-7-9-13(12)18(3)16(15)20/h6-10,17H,4-5H2,1-3H3
InChIKeyGILIKTQTZOZSAN-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.40
Rot. Bonds2

About 1,3-diethyl-5-methyl-10H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one

1,3-diethyl-5-methyl-10H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one (PubChem CID 20515450) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1,3-diethyl-5-methyl-10H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one.

Molecular Properties

Compound Name1,3-diethyl-5-methyl-10H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one
PubChem CID20515450
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1,3-diethyl-5-methyl-10H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one
SMILESCCc1cn(CC)c2c1Nc1ccccc1N(C)C2=O
InChIInChI=1S/C16H19N3O/c1-4-11-10-19(5-2)15-14(11)17-12-8-6-7-9-13(12)18(3)16(15)20/h6-10,17H,4-5H2,1-3H3
InChIKeyGILIKTQTZOZSAN-UHFFFAOYSA-N
XLogP3.40
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-5-methyl-10H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one?
The IUPAC name of 1,3-diethyl-5-methyl-10H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one (CID 20515450) is 1,3-diethyl-5-methyl-10H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one.
What is the SMILES notation for 1,3-diethyl-5-methyl-10H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one?
The canonical SMILES for 1,3-diethyl-5-methyl-10H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one is CCc1cn(CC)c2c1Nc1ccccc1N(C)C2=O.
What is the InChIKey of 1,3-diethyl-5-methyl-10H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one?
The InChIKey is GILIKTQTZOZSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-4-11-10-19(5-2)15-14(11)17-12-8-6-7-9-13(12)18(3)16(15)20/h6-10,17H,4-5H2,1-3H3.
What are the key properties of 1,3-diethyl-5-methyl-10H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one?
1,3-diethyl-5-methyl-10H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one has a molecular weight of 269.35 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-5-methyl-10H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one is sourced from PubChem (CID 20515450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).