1-[4-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)cyclohexa-1,2,3,5-tetraen-1-yl]ethanone

C21H15N3O2 — CID 121383142

IUPAC1-[4-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)cyclohexa-1,2,3,5-tetraen-1-yl]ethanone
SMILESCC(=O)C1=C=C=C(C(=O)N2Cc3cccnc3Nc3ccccc32)C=C1
InChIInChI=1S/C21H15N3O2/c1-14(25)15-8-10-16(11-9-15)21(26)24-13-17-5-4-12-22-20(17)23-18-6-2-3-7-19(18)24/h2-8,10,12H,13H2,1H3,(H,22,23)
InChIKeyBGUGTGNCNAMDKQ-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.44
Rot. Bonds2

About 1-[4-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)cyclohexa-1,2,3,5-tetraen-1-yl]ethanone

1-[4-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)cyclohexa-1,2,3,5-tetraen-1-yl]ethanone (PubChem CID 121383142) has the molecular formula C21H15N3O2 and a molecular weight of 341.37 g/mol. Its IUPAC name is 1-[4-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)cyclohexa-1,2,3,5-tetraen-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)cyclohexa-1,2,3,5-tetraen-1-yl]ethanone
PubChem CID121383142
Molecular FormulaC21H15N3O2
Molecular Weight341.37 g/mol
Exact Mass341.12
IUPAC Name1-[4-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)cyclohexa-1,2,3,5-tetraen-1-yl]ethanone
SMILESCC(=O)C1=C=C=C(C(=O)N2Cc3cccnc3Nc3ccccc32)C=C1
InChIInChI=1S/C21H15N3O2/c1-14(25)15-8-10-16(11-9-15)21(26)24-13-17-5-4-12-22-20(17)23-18-6-2-3-7-19(18)24/h2-8,10,12H,13H2,1H3,(H,22,23)
InChIKeyBGUGTGNCNAMDKQ-UHFFFAOYSA-N
XLogP3.44
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)cyclohexa-1,2,3,5-tetraen-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl-(4-fluorophenyl)methanone
CID 59957217
5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl-(1,3-dimethylcyclobutyl)methanone
CID 145094914
N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]-2-methylsulfanylbenzamide
CID 22099571
N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]-2-methylfuran-3-carboxamide
CID 22099746
2-chloro-N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]pyridine-3-carboxamide
CID 22099633
5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl-(4-hexyl-1-bicyclo[2.2.2]octanyl)methanone
CID 146606652
sodium;[4-(3-tert-butylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone;hydride
CID 160950510
N-[4-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2,5-dimethylphenyl]-2-pyridin-3-ylbenzamide
CID 22099623
N-[5-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-hydroxybenzamide
CID 149150179
1-[6-(3,3-dimethylcyclobutanecarbonyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-8-yl]-1,6-diazaspiro[3.3]heptane-6-carbaldehyde
CID 154974443
3-(8-bromo-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)cyclobutan-1-one
CID 121389548
2-chloro-N-[4-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)-3-methylphenyl]pyridine-3-carboxamide
CID 22100018

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)cyclohexa-1,2,3,5-tetraen-1-yl]ethanone?
The IUPAC name of 1-[4-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)cyclohexa-1,2,3,5-tetraen-1-yl]ethanone (CID 121383142) is 1-[4-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)cyclohexa-1,2,3,5-tetraen-1-yl]ethanone.
What is the SMILES notation for 1-[4-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)cyclohexa-1,2,3,5-tetraen-1-yl]ethanone?
The canonical SMILES for 1-[4-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)cyclohexa-1,2,3,5-tetraen-1-yl]ethanone is CC(=O)C1=C=C=C(C(=O)N2Cc3cccnc3Nc3ccccc32)C=C1.
What is the InChIKey of 1-[4-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)cyclohexa-1,2,3,5-tetraen-1-yl]ethanone?
The InChIKey is BGUGTGNCNAMDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2/c1-14(25)15-8-10-16(11-9-15)21(26)24-13-17-5-4-12-22-20(17)23-18-6-2-3-7-19(18)24/h2-8,10,12H,13H2,1H3,(H,22,23).
What are the key properties of 1-[4-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)cyclohexa-1,2,3,5-tetraen-1-yl]ethanone?
1-[4-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)cyclohexa-1,2,3,5-tetraen-1-yl]ethanone has a molecular weight of 341.37 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)cyclohexa-1,2,3,5-tetraen-1-yl]ethanone is sourced from PubChem (CID 121383142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).