9-chloro-3-[2-(4-methylpiperazin-1-yl)ethyl]-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one

C20H23ClN4O — CID 69219538

IUPAC9-chloro-3-[2-(4-methylpiperazin-1-yl)ethyl]-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
SMILESCN1CCN(CCc2ccc3c(c2)NC(=O)c2ccc(Cl)cc2N3)CC1
InChIInChI=1S/C20H23ClN4O/c1-24-8-10-25(11-9-24)7-6-14-2-5-17-19(12-14)23-20(26)16-4-3-15(21)13-18(16)22-17/h2-5,12-13,22H,6-11H2,1H3,(H,23,26)
InChIKeyBFYRYXZMGPRRSW-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.44
Rot. Bonds3

About 9-chloro-3-[2-(4-methylpiperazin-1-yl)ethyl]-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one

9-chloro-3-[2-(4-methylpiperazin-1-yl)ethyl]-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one (PubChem CID 69219538) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is 9-chloro-3-[2-(4-methylpiperazin-1-yl)ethyl]-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name9-chloro-3-[2-(4-methylpiperazin-1-yl)ethyl]-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
PubChem CID69219538
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC Name9-chloro-3-[2-(4-methylpiperazin-1-yl)ethyl]-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
SMILESCN1CCN(CCc2ccc3c(c2)NC(=O)c2ccc(Cl)cc2N3)CC1
InChIInChI=1S/C20H23ClN4O/c1-24-8-10-25(11-9-24)7-6-14-2-5-17-19(12-14)23-20(26)16-4-3-15(21)13-18(16)22-17/h2-5,12-13,22H,6-11H2,1H3,(H,23,26)
InChIKeyBFYRYXZMGPRRSW-UHFFFAOYSA-N
XLogP3.44
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 9-chloro-3-[2-(4-methylpiperazin-1-yl)ethyl]-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one with MolForge

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Related Compounds

9-chloro-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
CID 13445632
3-chloro-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one;ethane
CID 142815954
1-[2-(4-fluoro-3-methylphenyl)ethyl]-4-methylpiperazine
CID 136575376
2-(9-chloro-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl)-2-methylpropanoic acid
CID 69219483
1-[2-(4-chlorophenyl)ethyl]-4-propylpiperazine
CID 70460835
methyl 2-(9-chloro-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl)-2-methylpropanoate
CID 69219545
7-chloro-1'-[(4-chlorophenyl)methyl]spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875608
9-chloro-3-[(E)-2-pyridin-4-ylethenyl]-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
CID 69218688
9-(4-hydroxy-3-methoxyphenyl)-3-[2-(2-oxo-1-pyridinyl)ethyl]-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
CID 69220205
2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethyl]benzonitrile
CID 163390174
6-chloro-3-(1-methylpyrrolidin-2-ylidene)-1H-indol-2-one
CID 56626082
1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethanone
CID 117368603

Frequently Asked Questions

What is the IUPAC name of 9-chloro-3-[2-(4-methylpiperazin-1-yl)ethyl]-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one?
The IUPAC name of 9-chloro-3-[2-(4-methylpiperazin-1-yl)ethyl]-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one (CID 69219538) is 9-chloro-3-[2-(4-methylpiperazin-1-yl)ethyl]-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one.
What is the SMILES notation for 9-chloro-3-[2-(4-methylpiperazin-1-yl)ethyl]-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one?
The canonical SMILES for 9-chloro-3-[2-(4-methylpiperazin-1-yl)ethyl]-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one is CN1CCN(CCc2ccc3c(c2)NC(=O)c2ccc(Cl)cc2N3)CC1.
What is the InChIKey of 9-chloro-3-[2-(4-methylpiperazin-1-yl)ethyl]-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one?
The InChIKey is BFYRYXZMGPRRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O/c1-24-8-10-25(11-9-24)7-6-14-2-5-17-19(12-14)23-20(26)16-4-3-15(21)13-18(16)22-17/h2-5,12-13,22H,6-11H2,1H3,(H,23,26).
What are the key properties of 9-chloro-3-[2-(4-methylpiperazin-1-yl)ethyl]-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one?
9-chloro-3-[2-(4-methylpiperazin-1-yl)ethyl]-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one has a molecular weight of 370.88 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-3-[2-(4-methylpiperazin-1-yl)ethyl]-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one is sourced from PubChem (CID 69219538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).