2-chloro-6-[2-(4-methylpiperazin-1-yl)ethylamino]indeno[2,1-c]quinolin-7-one

C23H23ClN4O — CID 118717817

IUPAC2-chloro-6-[2-(4-methylpiperazin-1-yl)ethylamino]indeno[2,1-c]quinolin-7-one
SMILESCN1CCN(CCNc2nc3ccc(Cl)cc3c3c2C(=O)c2ccccc2-3)CC1
InChIInChI=1S/C23H23ClN4O/c1-27-10-12-28(13-11-27)9-8-25-23-21-20(16-4-2-3-5-17(16)22(21)29)18-14-15(24)6-7-19(18)26-23/h2-7,14H,8-13H2,1H3,(H,25,26)
InChIKeyIGJAWMANMIHVRY-UHFFFAOYSA-N
MW406.92 g/mol
LogP3.76
Rot. Bonds4

About 2-chloro-6-[2-(4-methylpiperazin-1-yl)ethylamino]indeno[2,1-c]quinolin-7-one

2-chloro-6-[2-(4-methylpiperazin-1-yl)ethylamino]indeno[2,1-c]quinolin-7-one (PubChem CID 118717817) has the molecular formula C23H23ClN4O and a molecular weight of 406.92 g/mol. Its IUPAC name is 2-chloro-6-[2-(4-methylpiperazin-1-yl)ethylamino]indeno[2,1-c]quinolin-7-one.

Molecular Properties

Compound Name2-chloro-6-[2-(4-methylpiperazin-1-yl)ethylamino]indeno[2,1-c]quinolin-7-one
PubChem CID118717817
Molecular FormulaC23H23ClN4O
Molecular Weight406.92 g/mol
Exact Mass406.16
IUPAC Name2-chloro-6-[2-(4-methylpiperazin-1-yl)ethylamino]indeno[2,1-c]quinolin-7-one
SMILESCN1CCN(CCNc2nc3ccc(Cl)cc3c3c2C(=O)c2ccccc2-3)CC1
InChIInChI=1S/C23H23ClN4O/c1-27-10-12-28(13-11-27)9-8-25-23-21-20(16-4-2-3-5-17(16)22(21)29)18-14-15(24)6-7-19(18)26-23/h2-7,14H,8-13H2,1H3,(H,25,26)
InChIKeyIGJAWMANMIHVRY-UHFFFAOYSA-N
XLogP3.76
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.92
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[2-(4-methylpiperazin-1-yl)ethylamino]indeno[2,1-c]quinolin-7-one?
The IUPAC name of 2-chloro-6-[2-(4-methylpiperazin-1-yl)ethylamino]indeno[2,1-c]quinolin-7-one (CID 118717817) is 2-chloro-6-[2-(4-methylpiperazin-1-yl)ethylamino]indeno[2,1-c]quinolin-7-one.
What is the SMILES notation for 2-chloro-6-[2-(4-methylpiperazin-1-yl)ethylamino]indeno[2,1-c]quinolin-7-one?
The canonical SMILES for 2-chloro-6-[2-(4-methylpiperazin-1-yl)ethylamino]indeno[2,1-c]quinolin-7-one is CN1CCN(CCNc2nc3ccc(Cl)cc3c3c2C(=O)c2ccccc2-3)CC1.
What is the InChIKey of 2-chloro-6-[2-(4-methylpiperazin-1-yl)ethylamino]indeno[2,1-c]quinolin-7-one?
The InChIKey is IGJAWMANMIHVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O/c1-27-10-12-28(13-11-27)9-8-25-23-21-20(16-4-2-3-5-17(16)22(21)29)18-14-15(24)6-7-19(18)26-23/h2-7,14H,8-13H2,1H3,(H,25,26).
What are the key properties of 2-chloro-6-[2-(4-methylpiperazin-1-yl)ethylamino]indeno[2,1-c]quinolin-7-one?
2-chloro-6-[2-(4-methylpiperazin-1-yl)ethylamino]indeno[2,1-c]quinolin-7-one has a molecular weight of 406.92 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[2-(4-methylpiperazin-1-yl)ethylamino]indeno[2,1-c]quinolin-7-one is sourced from PubChem (CID 118717817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).