9-chloro-6-(4-methylpiperazin-1-yl)indeno[1,2-c]quinolin-11-one

C21H18ClN3O — CID 118223476

IUPAC9-chloro-6-(4-methylpiperazin-1-yl)indeno[1,2-c]quinolin-11-one
SMILESCN1CCN(c2nc3ccccc3c3c2-c2ccc(Cl)cc2C3=O)CC1
InChIInChI=1S/C21H18ClN3O/c1-24-8-10-25(11-9-24)21-19-14-7-6-13(22)12-16(14)20(26)18(19)15-4-2-3-5-17(15)23-21/h2-7,12H,8-11H2,1H3
InChIKeyHDZXULLMSVWSLS-UHFFFAOYSA-N
MW363.85 g/mol
LogP3.85
Rot. Bonds1

About 9-chloro-6-(4-methylpiperazin-1-yl)indeno[1,2-c]quinolin-11-one

9-chloro-6-(4-methylpiperazin-1-yl)indeno[1,2-c]quinolin-11-one (PubChem CID 118223476) has the molecular formula C21H18ClN3O and a molecular weight of 363.85 g/mol. Its IUPAC name is 9-chloro-6-(4-methylpiperazin-1-yl)indeno[1,2-c]quinolin-11-one.

Molecular Properties

Compound Name9-chloro-6-(4-methylpiperazin-1-yl)indeno[1,2-c]quinolin-11-one
PubChem CID118223476
Molecular FormulaC21H18ClN3O
Molecular Weight363.85 g/mol
Exact Mass363.11
IUPAC Name9-chloro-6-(4-methylpiperazin-1-yl)indeno[1,2-c]quinolin-11-one
SMILESCN1CCN(c2nc3ccccc3c3c2-c2ccc(Cl)cc2C3=O)CC1
InChIInChI=1S/C21H18ClN3O/c1-24-8-10-25(11-9-24)21-19-14-7-6-13(22)12-16(14)20(26)18(19)15-4-2-3-5-17(15)23-21/h2-7,12H,8-11H2,1H3
InChIKeyHDZXULLMSVWSLS-UHFFFAOYSA-N
XLogP3.85
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-6-(4-methylpiperazin-1-yl)indeno[1,2-c]quinolin-11-one?
The IUPAC name of 9-chloro-6-(4-methylpiperazin-1-yl)indeno[1,2-c]quinolin-11-one (CID 118223476) is 9-chloro-6-(4-methylpiperazin-1-yl)indeno[1,2-c]quinolin-11-one.
What is the SMILES notation for 9-chloro-6-(4-methylpiperazin-1-yl)indeno[1,2-c]quinolin-11-one?
The canonical SMILES for 9-chloro-6-(4-methylpiperazin-1-yl)indeno[1,2-c]quinolin-11-one is CN1CCN(c2nc3ccccc3c3c2-c2ccc(Cl)cc2C3=O)CC1.
What is the InChIKey of 9-chloro-6-(4-methylpiperazin-1-yl)indeno[1,2-c]quinolin-11-one?
The InChIKey is HDZXULLMSVWSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O/c1-24-8-10-25(11-9-24)21-19-14-7-6-13(22)12-16(14)20(26)18(19)15-4-2-3-5-17(15)23-21/h2-7,12H,8-11H2,1H3.
What are the key properties of 9-chloro-6-(4-methylpiperazin-1-yl)indeno[1,2-c]quinolin-11-one?
9-chloro-6-(4-methylpiperazin-1-yl)indeno[1,2-c]quinolin-11-one has a molecular weight of 363.85 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-6-(4-methylpiperazin-1-yl)indeno[1,2-c]quinolin-11-one is sourced from PubChem (CID 118223476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).