8-ethyl-3-methyl-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-11H-benzo[b][1,4]benzodiazepine

C22H25N3 — CID 164623328

IUPAC8-ethyl-3-methyl-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-11H-benzo[b][1,4]benzodiazepine
SMILESCCc1ccc2c(c1)C(C1=CCN(C)CC1)=Nc1cc(C)ccc1N2
InChIInChI=1S/C22H25N3/c1-4-16-6-8-19-18(14-16)22(17-9-11-25(3)12-10-17)24-21-13-15(2)5-7-20(21)23-19/h5-9,13-14,23H,4,10-12H2,1-3H3
InChIKeyIWMPNKVRIUOVNY-UHFFFAOYSA-N
MW331.46 g/mol
LogP5.00
Rot. Bonds2

About 8-ethyl-3-methyl-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-11H-benzo[b][1,4]benzodiazepine

8-ethyl-3-methyl-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-11H-benzo[b][1,4]benzodiazepine (PubChem CID 164623328) has the molecular formula C22H25N3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 8-ethyl-3-methyl-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-11H-benzo[b][1,4]benzodiazepine.

Molecular Properties

Compound Name8-ethyl-3-methyl-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-11H-benzo[b][1,4]benzodiazepine
PubChem CID164623328
Molecular FormulaC22H25N3
Molecular Weight331.46 g/mol
Exact Mass331.20
IUPAC Name8-ethyl-3-methyl-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-11H-benzo[b][1,4]benzodiazepine
SMILESCCc1ccc2c(c1)C(C1=CCN(C)CC1)=Nc1cc(C)ccc1N2
InChIInChI=1S/C22H25N3/c1-4-16-6-8-19-18(14-16)22(17-9-11-25(3)12-10-17)24-21-13-15(2)5-7-20(21)23-19/h5-9,13-14,23H,4,10-12H2,1-3H3
InChIKeyIWMPNKVRIUOVNY-UHFFFAOYSA-N
XLogP5.00
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-ethyl-3-methyl-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-11H-benzo[b][1,4]benzodiazepine with MolForge

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Related Compounds

11-(4-Methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine
CID 16103
2,3-Dihydro-7-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one
CID 613848
4-Methyl-N1-(3-phenylpropyl)benzene-1,2-diamine
CID 16760588
3-chloro-6-[(6S)-1,6-dimethyl-3,6-dihydro-2H-pyridin-4-yl]-8-ethyl-11H-benzo[b][1,4]benzodiazepine
CID 142405815
3-chloro-6-[(6S)-1,6-dimethyl-3,6-dihydro-2H-pyridin-4-yl]-8-methyl-11H-benzo[b][1,4]benzodiazepine
CID 142405825
1H-1,5-Benzodiazepine, 2,3-dihydro-2-methyl-4-phenyl-
CID 613466
2,4-diphenyl-2,3-dihydro-1H-1,5-benzodiazepine
CID 2728685
2-methyl-2,4-diphenyl-2,3-dihydro-1H-1,5-benzodiazepine
CID 3786626
4-Phenyl-2,3-dihydro-1H-1,5-benzodiazepine
CID 2771646
8-chloro-6-[(6S)-1,6-dimethyl-3,6-dihydro-2H-pyridin-4-yl]-3-methyl-11H-benzo[b][1,4]benzodiazepine
CID 162655154
2H-1,4-Benzodiazepine-2-thione, 1,3-dihydro-7-methyl-5-phenyl-
CID 5377745
5H-Dibenz(b,f)azepine, 10,11-dihydro-2-((4-methyl-1-piperazinyl)methyl)-
CID 3048897

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3-methyl-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-11H-benzo[b][1,4]benzodiazepine?
The IUPAC name of 8-ethyl-3-methyl-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-11H-benzo[b][1,4]benzodiazepine (CID 164623328) is 8-ethyl-3-methyl-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-11H-benzo[b][1,4]benzodiazepine.
What is the SMILES notation for 8-ethyl-3-methyl-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-11H-benzo[b][1,4]benzodiazepine?
The canonical SMILES for 8-ethyl-3-methyl-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-11H-benzo[b][1,4]benzodiazepine is CCc1ccc2c(c1)C(C1=CCN(C)CC1)=Nc1cc(C)ccc1N2.
What is the InChIKey of 8-ethyl-3-methyl-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-11H-benzo[b][1,4]benzodiazepine?
The InChIKey is IWMPNKVRIUOVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3/c1-4-16-6-8-19-18(14-16)22(17-9-11-25(3)12-10-17)24-21-13-15(2)5-7-20(21)23-19/h5-9,13-14,23H,4,10-12H2,1-3H3.
What are the key properties of 8-ethyl-3-methyl-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-11H-benzo[b][1,4]benzodiazepine?
8-ethyl-3-methyl-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-11H-benzo[b][1,4]benzodiazepine has a molecular weight of 331.46 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3-methyl-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-11H-benzo[b][1,4]benzodiazepine is sourced from PubChem (CID 164623328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).