3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-1,2-dihydrobenzo[e]indole

C24H27N3O — CID 141072209

IUPAC3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-1,2-dihydrobenzo[e]indole
SMILESCOc1ccc(N2CCc3c2ccc2ccccc32)cc1N1CCN(C)CC1
InChIInChI=1S/C24H27N3O/c1-25-13-15-26(16-14-25)23-17-19(8-10-24(23)28-2)27-12-11-21-20-6-4-3-5-18(20)7-9-22(21)27/h3-10,17H,11-16H2,1-2H3
InChIKeyAYCZKZRSCQHISB-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.29
Rot. Bonds3

About 3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-1,2-dihydrobenzo[e]indole

3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-1,2-dihydrobenzo[e]indole (PubChem CID 141072209) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-1,2-dihydrobenzo[e]indole.

Molecular Properties

Compound Name3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-1,2-dihydrobenzo[e]indole
PubChem CID141072209
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-1,2-dihydrobenzo[e]indole
SMILESCOc1ccc(N2CCc3c2ccc2ccccc32)cc1N1CCN(C)CC1
InChIInChI=1S/C24H27N3O/c1-25-13-15-26(16-14-25)23-17-19(8-10-24(23)28-2)27-12-11-21-20-6-4-3-5-18(20)7-9-22(21)27/h3-10,17H,11-16H2,1-2H3
InChIKeyAYCZKZRSCQHISB-UHFFFAOYSA-N
XLogP4.29
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(2-naphthalen-2-ylethyl)piperazine
CID 140993283
1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-2,5-dione
CID 53358105
1-(2-methoxy-5-methylphenyl)-4-methylpiperazine
CID 20811370
1-[2-methoxy-5-[4-(3-phenylpropyl)piperidin-1-yl]phenyl]-4-methylpiperazine
CID 140993259
(R)-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]naphthalene-1-sulfinamide
CID 11875077
1-(3,4-dimethoxyphenyl)-4-methylpiperazine
CID 21363782
4-methoxy-3-(4-methylpiperazin-1-yl)-N-[(1-naphthalen-1-ylcyclopropyl)methyl]benzenesulfonamide
CID 118465009
[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]boronic acid
CID 124926588
4-[4-(2-methoxyphenyl)piperazin-1-yl]benzo[h]chromen-2-one
CID 155557580
N-[4-[1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2H-pyridin-4-yl]naphthalen-1-yl]acetamide
CID 54040460
8-(4-methylpiperazin-1-yl)naphthalen-2-amine
CID 23353484
4-(2,3-dihydroindol-1-yl)-2-methoxyaniline
CID 63672438

Frequently Asked Questions

What is the IUPAC name of 3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-1,2-dihydrobenzo[e]indole?
The IUPAC name of 3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-1,2-dihydrobenzo[e]indole (CID 141072209) is 3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-1,2-dihydrobenzo[e]indole.
What is the SMILES notation for 3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-1,2-dihydrobenzo[e]indole?
The canonical SMILES for 3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-1,2-dihydrobenzo[e]indole is COc1ccc(N2CCc3c2ccc2ccccc32)cc1N1CCN(C)CC1.
What is the InChIKey of 3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-1,2-dihydrobenzo[e]indole?
The InChIKey is AYCZKZRSCQHISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-25-13-15-26(16-14-25)23-17-19(8-10-24(23)28-2)27-12-11-21-20-6-4-3-5-18(20)7-9-22(21)27/h3-10,17H,11-16H2,1-2H3.
What are the key properties of 3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-1,2-dihydrobenzo[e]indole?
3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-1,2-dihydrobenzo[e]indole has a molecular weight of 373.50 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-1,2-dihydrobenzo[e]indole is sourced from PubChem (CID 141072209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).