5,10-dimethyl-2-phenyl-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione;propane

C22H25N3O2 — CID 142043029

IUPAC5,10-dimethyl-2-phenyl-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione;propane
SMILESCCC.CN1C(=O)C2=C(C(=O)N(c3ccccc3)C2)N(C)c2ccccc21
InChIInChI=1S/C19H17N3O2.C3H8/c1-20-15-10-6-7-11-16(15)21(2)18(23)14-12-22(19(24)17(14)20)13-8-4-3-5-9-13;1-3-2/h3-11H,12H2,1-2H3;3H2,1-2H3
InChIKeyHTZKNFMIHXVXBU-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.82
Rot. Bonds1

About 5,10-dimethyl-2-phenyl-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione;propane

5,10-dimethyl-2-phenyl-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione;propane (PubChem CID 142043029) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 5,10-dimethyl-2-phenyl-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione;propane.

Molecular Properties

Compound Name5,10-dimethyl-2-phenyl-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione;propane
PubChem CID142043029
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name5,10-dimethyl-2-phenyl-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione;propane
SMILESCCC.CN1C(=O)C2=C(C(=O)N(c3ccccc3)C2)N(C)c2ccccc21
InChIInChI=1S/C19H17N3O2.C3H8/c1-20-15-10-6-7-11-16(15)21(2)18(23)14-12-22(19(24)17(14)20)13-8-4-3-5-9-13;1-3-2/h3-11H,12H2,1-2H3;3H2,1-2H3
InChIKeyHTZKNFMIHXVXBU-UHFFFAOYSA-N
XLogP3.82
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;3-methyl-1-phenylimidazolidine-2,4-dione
CID 145288256
2-phenyl-5,10-dihydro-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione
CID 134121440
1-(4-methylphenyl)-3,4-diphenyl-2H-pyrrol-5-one
CID 71190811
(3E)-3-(2-chloroethylidene)-1-phenylazetidin-2-one
CID 121221004
4-fluoro-1-methyl-3H-quinoxalin-2-one
CID 156700555
1-methyl-3-phenyl-1,3-diazinane-2,5-dione
CID 22323527
3-hydroxy-1-phenyl-4-(4-phenylphenyl)-2H-pyrrol-5-one
CID 67834371
(4R)-1-methyl-4,6-diphenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 755556
3-(2-hydroxyethyl)-1-phenyl-2H-quinazolin-4-one
CID 19706968
3-methyl-5-phenyl-4H-triazolo[1,5-a][1,4]benzodiazepin-6-one
CID 14942931
6-(4-ethoxyphenyl)-1-methyl-4-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 4971480
methanamine;2-phenylisoindole-1,3-dione;propane
CID 171823860

Frequently Asked Questions

What is the IUPAC name of 5,10-dimethyl-2-phenyl-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione;propane?
The IUPAC name of 5,10-dimethyl-2-phenyl-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione;propane (CID 142043029) is 5,10-dimethyl-2-phenyl-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione;propane.
What is the SMILES notation for 5,10-dimethyl-2-phenyl-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione;propane?
The canonical SMILES for 5,10-dimethyl-2-phenyl-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione;propane is CCC.CN1C(=O)C2=C(C(=O)N(c3ccccc3)C2)N(C)c2ccccc21.
What is the InChIKey of 5,10-dimethyl-2-phenyl-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione;propane?
The InChIKey is HTZKNFMIHXVXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2.C3H8/c1-20-15-10-6-7-11-16(15)21(2)18(23)14-12-22(19(24)17(14)20)13-8-4-3-5-9-13;1-3-2/h3-11H,12H2,1-2H3;3H2,1-2H3.
What are the key properties of 5,10-dimethyl-2-phenyl-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione;propane?
5,10-dimethyl-2-phenyl-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione;propane has a molecular weight of 363.46 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dimethyl-2-phenyl-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione;propane is sourced from PubChem (CID 142043029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).