8-methoxy-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine

C19H22N4O — CID 15521599

IUPAC8-methoxy-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine
SMILESCOc1ccc2c(c1)C(N1CCN(C)CC1)=Nc1ccccc1N2
InChIInChI=1S/C19H22N4O/c1-22-9-11-23(12-10-22)19-15-13-14(24-2)7-8-16(15)20-17-5-3-4-6-18(17)21-19/h3-8,13,20H,9-12H2,1-2H3
InChIKeyNXWRIBLQJIVCRL-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.08
Rot. Bonds1

About 8-methoxy-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine

8-methoxy-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine (PubChem CID 15521599) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 8-methoxy-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine.

Molecular Properties

Compound Name8-methoxy-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine
PubChem CID15521599
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name8-methoxy-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine
SMILESCOc1ccc2c(c1)C(N1CCN(C)CC1)=Nc1ccccc1N2
InChIInChI=1S/C19H22N4O/c1-22-9-11-23(12-10-22)19-15-13-14(24-2)7-8-16(15)20-17-5-3-4-6-18(17)21-19/h3-8,13,20H,9-12H2,1-2H3
InChIKeyNXWRIBLQJIVCRL-UHFFFAOYSA-N
XLogP3.08
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepin-3-ol
CID 135508767
[6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepin-8-yl] trifluoromethanesulfonate
CID 9954899
11-(4-Methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepin-2-ol
CID 10828627
3-(4-Methoxyphenyl)-2-phenylquinazolin-4-imine
CID 122226451
N,N'-bis(4-methoxyphenyl)benzenecarboximidamide
CID 3027143
Methanesulfonic acid 11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepin-2-yl ester
CID 24121307
2-(3-methoxyphenyl)-1H-quinazoline-4-thione
CID 127049803
3-chloro-6-[4-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-11H-benzo[b][1,4]benzodiazepine
CID 135458464
8-Methoxy-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine
CID 135686415
N-(3-aminopropyl)-N'-[3-[(7-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-ylidene)amino]propyl]butane-1,4-diamine;hydrochloride
CID 136203731
3-(4-Methoxyphenyl)-2-phenylquinazolin-4-imine;hydrochloride
CID 137636196
6-[(6S)-1,6-dimethyl-3,6-dihydro-2H-pyridin-4-yl]-3-methyl-8-(trifluoromethoxy)-11H-benzo[b][1,4]benzodiazepine
CID 162676091

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine?
The IUPAC name of 8-methoxy-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine (CID 15521599) is 8-methoxy-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine.
What is the SMILES notation for 8-methoxy-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine?
The canonical SMILES for 8-methoxy-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine is COc1ccc2c(c1)C(N1CCN(C)CC1)=Nc1ccccc1N2.
What is the InChIKey of 8-methoxy-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine?
The InChIKey is NXWRIBLQJIVCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-22-9-11-23(12-10-22)19-15-13-14(24-2)7-8-16(15)20-17-5-3-4-6-18(17)21-19/h3-8,13,20H,9-12H2,1-2H3.
What are the key properties of 8-methoxy-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine?
8-methoxy-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine has a molecular weight of 322.41 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine is sourced from PubChem (CID 15521599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).