2-chloro-11-(4-methylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline

C20H19ClN4 — CID 42637661

IUPAC2-chloro-11-(4-methylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline
SMILESCN1CCN(c2c3cc(Cl)ccc3nc3[nH]c4ccccc4c23)CC1
InChIInChI=1S/C20H19ClN4/c1-24-8-10-25(11-9-24)19-15-12-13(21)6-7-17(15)23-20-18(19)14-4-2-3-5-16(14)22-20/h2-7,12H,8-11H2,1H3,(H,22,23)
InChIKeyBODCYYPAWVCMPI-UHFFFAOYSA-N
MW350.85 g/mol
LogP4.27
Rot. Bonds1

About 2-chloro-11-(4-methylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline

2-chloro-11-(4-methylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline (PubChem CID 42637661) has the molecular formula C20H19ClN4 and a molecular weight of 350.85 g/mol. Its IUPAC name is 2-chloro-11-(4-methylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline.

Molecular Properties

Compound Name2-chloro-11-(4-methylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline
PubChem CID42637661
Molecular FormulaC20H19ClN4
Molecular Weight350.85 g/mol
Exact Mass350.13
IUPAC Name2-chloro-11-(4-methylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline
SMILESCN1CCN(c2c3cc(Cl)ccc3nc3[nH]c4ccccc4c23)CC1
InChIInChI=1S/C20H19ClN4/c1-24-8-10-25(11-9-24)19-15-12-13(21)6-7-17(15)23-20-18(19)14-4-2-3-5-16(14)22-20/h2-7,12H,8-11H2,1H3,(H,22,23)
InChIKeyBODCYYPAWVCMPI-UHFFFAOYSA-N
XLogP4.27
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-11-(4-methylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline?
The IUPAC name of 2-chloro-11-(4-methylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline (CID 42637661) is 2-chloro-11-(4-methylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline.
What is the SMILES notation for 2-chloro-11-(4-methylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline?
The canonical SMILES for 2-chloro-11-(4-methylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline is CN1CCN(c2c3cc(Cl)ccc3nc3[nH]c4ccccc4c23)CC1.
What is the InChIKey of 2-chloro-11-(4-methylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline?
The InChIKey is BODCYYPAWVCMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4/c1-24-8-10-25(11-9-24)19-15-12-13(21)6-7-17(15)23-20-18(19)14-4-2-3-5-16(14)22-20/h2-7,12H,8-11H2,1H3,(H,22,23).
What are the key properties of 2-chloro-11-(4-methylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline?
2-chloro-11-(4-methylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline has a molecular weight of 350.85 g/mol, XLogP of 4.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-11-(4-methylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline is sourced from PubChem (CID 42637661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).