2-(2,3-dichlorophenyl)-3-methyl-5,6,7,8-tetrahydropyrazino[2,3-e][1,4]diazepin-9-one

C14H12Cl2N4O — CID 134183189

IUPAC2-(2,3-dichlorophenyl)-3-methyl-5,6,7,8-tetrahydropyrazino[2,3-e][1,4]diazepin-9-one
SMILESCc1nc2c(nc1-c1cccc(Cl)c1Cl)C(=O)NCCN2
InChIInChI=1S/C14H12Cl2N4O/c1-7-11(8-3-2-4-9(15)10(8)16)20-12-13(19-7)17-5-6-18-14(12)21/h2-4H,5-6H2,1H3,(H,17,19)(H,18,21)
InChIKeyNBBYZBJOYDAVQR-UHFFFAOYSA-N
MW323.18 g/mol
LogP2.91
Rot. Bonds1

About 2-(2,3-dichlorophenyl)-3-methyl-5,6,7,8-tetrahydropyrazino[2,3-e][1,4]diazepin-9-one

2-(2,3-dichlorophenyl)-3-methyl-5,6,7,8-tetrahydropyrazino[2,3-e][1,4]diazepin-9-one (PubChem CID 134183189) has the molecular formula C14H12Cl2N4O and a molecular weight of 323.18 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-3-methyl-5,6,7,8-tetrahydropyrazino[2,3-e][1,4]diazepin-9-one.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-3-methyl-5,6,7,8-tetrahydropyrazino[2,3-e][1,4]diazepin-9-one
PubChem CID134183189
Molecular FormulaC14H12Cl2N4O
Molecular Weight323.18 g/mol
Exact Mass322.04
IUPAC Name2-(2,3-dichlorophenyl)-3-methyl-5,6,7,8-tetrahydropyrazino[2,3-e][1,4]diazepin-9-one
SMILESCc1nc2c(nc1-c1cccc(Cl)c1Cl)C(=O)NCCN2
InChIInChI=1S/C14H12Cl2N4O/c1-7-11(8-3-2-4-9(15)10(8)16)20-12-13(19-7)17-5-6-18-14(12)21/h2-4H,5-6H2,1H3,(H,17,19)(H,18,21)
InChIKeyNBBYZBJOYDAVQR-UHFFFAOYSA-N
XLogP2.91
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2,3-dichlorophenyl)-3-methyl-5,6,7,8-tetrahydropyrazino[2,3-e][1,4]diazepin-9-one 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 2-(2,3-dichlorophenyl)-3-methyl-5,6,7,8-tetrahydropyrazino[2,3-e][1,4]diazepin-9-one?
The IUPAC name of 2-(2,3-dichlorophenyl)-3-methyl-5,6,7,8-tetrahydropyrazino[2,3-e][1,4]diazepin-9-one (CID 134183189) is 2-(2,3-dichlorophenyl)-3-methyl-5,6,7,8-tetrahydropyrazino[2,3-e][1,4]diazepin-9-one.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-3-methyl-5,6,7,8-tetrahydropyrazino[2,3-e][1,4]diazepin-9-one?
The canonical SMILES for 2-(2,3-dichlorophenyl)-3-methyl-5,6,7,8-tetrahydropyrazino[2,3-e][1,4]diazepin-9-one is Cc1nc2c(nc1-c1cccc(Cl)c1Cl)C(=O)NCCN2.
What is the InChIKey of 2-(2,3-dichlorophenyl)-3-methyl-5,6,7,8-tetrahydropyrazino[2,3-e][1,4]diazepin-9-one?
The InChIKey is NBBYZBJOYDAVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4O/c1-7-11(8-3-2-4-9(15)10(8)16)20-12-13(19-7)17-5-6-18-14(12)21/h2-4H,5-6H2,1H3,(H,17,19)(H,18,21).
What are the key properties of 2-(2,3-dichlorophenyl)-3-methyl-5,6,7,8-tetrahydropyrazino[2,3-e][1,4]diazepin-9-one?
2-(2,3-dichlorophenyl)-3-methyl-5,6,7,8-tetrahydropyrazino[2,3-e][1,4]diazepin-9-one has a molecular weight of 323.18 g/mol, XLogP of 2.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-3-methyl-5,6,7,8-tetrahydropyrazino[2,3-e][1,4]diazepin-9-one is sourced from PubChem (CID 134183189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).