6-chloro-7-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole

C15H22ClN3 — CID 82626783

IUPAC6-chloro-7-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
SMILESCc1c(Cl)ccc2c1NCC2CN1CCN(C)CC1
InChIInChI=1S/C15H22ClN3/c1-11-14(16)4-3-13-12(9-17-15(11)13)10-19-7-5-18(2)6-8-19/h3-4,12,17H,5-10H2,1-2H3
InChIKeyPFXXAEOSKNSEAB-UHFFFAOYSA-N
MW279.81 g/mol
LogP2.40
Rot. Bonds2

About 6-chloro-7-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole

6-chloro-7-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole (PubChem CID 82626783) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 6-chloro-7-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name6-chloro-7-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
PubChem CID82626783
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name6-chloro-7-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
SMILESCc1c(Cl)ccc2c1NCC2CN1CCN(C)CC1
InChIInChI=1S/C15H22ClN3/c1-11-14(16)4-3-13-12(9-17-15(11)13)10-19-7-5-18(2)6-8-19/h3-4,12,17H,5-10H2,1-2H3
InChIKeyPFXXAEOSKNSEAB-UHFFFAOYSA-N
XLogP2.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole?
The IUPAC name of 6-chloro-7-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole (CID 82626783) is 6-chloro-7-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 6-chloro-7-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 6-chloro-7-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole is Cc1c(Cl)ccc2c1NCC2CN1CCN(C)CC1.
What is the InChIKey of 6-chloro-7-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole?
The InChIKey is PFXXAEOSKNSEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-11-14(16)4-3-13-12(9-17-15(11)13)10-19-7-5-18(2)6-8-19/h3-4,12,17H,5-10H2,1-2H3.
What are the key properties of 6-chloro-7-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole?
6-chloro-7-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole has a molecular weight of 279.81 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 82626783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).