3-chloro-8-methoxy-9-[(4-methylpiperazin-1-yl)methyl]-11H-indolo[3,2-c]quinoline

C22H23ClN4O — CID 11741367

IUPAC3-chloro-8-methoxy-9-[(4-methylpiperazin-1-yl)methyl]-11H-indolo[3,2-c]quinoline
SMILESCOc1cc2c(cc1CN1CCN(C)CC1)[nH]c1c3ccc(Cl)cc3ncc21
InChIInChI=1S/C22H23ClN4O/c1-26-5-7-27(8-6-26)13-14-9-20-17(11-21(14)28-2)18-12-24-19-10-15(23)3-4-16(19)22(18)25-20/h3-4,9-12,25H,5-8,13H2,1-2H3
InChIKeyPOWYAGHEGILROZ-UHFFFAOYSA-N
MW394.91 g/mol
LogP4.28
Rot. Bonds3

About 3-chloro-8-methoxy-9-[(4-methylpiperazin-1-yl)methyl]-11H-indolo[3,2-c]quinoline

3-chloro-8-methoxy-9-[(4-methylpiperazin-1-yl)methyl]-11H-indolo[3,2-c]quinoline (PubChem CID 11741367) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is 3-chloro-8-methoxy-9-[(4-methylpiperazin-1-yl)methyl]-11H-indolo[3,2-c]quinoline.

Molecular Properties

Compound Name3-chloro-8-methoxy-9-[(4-methylpiperazin-1-yl)methyl]-11H-indolo[3,2-c]quinoline
PubChem CID11741367
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC Name3-chloro-8-methoxy-9-[(4-methylpiperazin-1-yl)methyl]-11H-indolo[3,2-c]quinoline
SMILESCOc1cc2c(cc1CN1CCN(C)CC1)[nH]c1c3ccc(Cl)cc3ncc21
InChIInChI=1S/C22H23ClN4O/c1-26-5-7-27(8-6-26)13-14-9-20-17(11-21(14)28-2)18-12-24-19-10-15(23)3-4-16(19)22(18)25-20/h3-4,9-12,25H,5-8,13H2,1-2H3
InChIKeyPOWYAGHEGILROZ-UHFFFAOYSA-N
XLogP4.28
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-8-methoxy-9-[(4-methylpiperazin-1-yl)methyl]-11H-indolo[3,2-c]quinoline?
The IUPAC name of 3-chloro-8-methoxy-9-[(4-methylpiperazin-1-yl)methyl]-11H-indolo[3,2-c]quinoline (CID 11741367) is 3-chloro-8-methoxy-9-[(4-methylpiperazin-1-yl)methyl]-11H-indolo[3,2-c]quinoline.
What is the SMILES notation for 3-chloro-8-methoxy-9-[(4-methylpiperazin-1-yl)methyl]-11H-indolo[3,2-c]quinoline?
The canonical SMILES for 3-chloro-8-methoxy-9-[(4-methylpiperazin-1-yl)methyl]-11H-indolo[3,2-c]quinoline is COc1cc2c(cc1CN1CCN(C)CC1)[nH]c1c3ccc(Cl)cc3ncc21.
What is the InChIKey of 3-chloro-8-methoxy-9-[(4-methylpiperazin-1-yl)methyl]-11H-indolo[3,2-c]quinoline?
The InChIKey is POWYAGHEGILROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O/c1-26-5-7-27(8-6-26)13-14-9-20-17(11-21(14)28-2)18-12-24-19-10-15(23)3-4-16(19)22(18)25-20/h3-4,9-12,25H,5-8,13H2,1-2H3.
What are the key properties of 3-chloro-8-methoxy-9-[(4-methylpiperazin-1-yl)methyl]-11H-indolo[3,2-c]quinoline?
3-chloro-8-methoxy-9-[(4-methylpiperazin-1-yl)methyl]-11H-indolo[3,2-c]quinoline has a molecular weight of 394.91 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-8-methoxy-9-[(4-methylpiperazin-1-yl)methyl]-11H-indolo[3,2-c]quinoline is sourced from PubChem (CID 11741367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).