2-chloro-6-(2-piperidin-1-ylethylamino)indeno[2,1-c]quinolin-7-one

C23H22ClN3O — CID 118717814

IUPAC2-chloro-6-(2-piperidin-1-ylethylamino)indeno[2,1-c]quinolin-7-one
SMILESO=C1c2ccccc2-c2c1c(NCCN1CCCCC1)nc1ccc(Cl)cc21
InChIInChI=1S/C23H22ClN3O/c24-15-8-9-19-18(14-15)20-16-6-2-3-7-17(16)22(28)21(20)23(26-19)25-10-13-27-11-4-1-5-12-27/h2-3,6-9,14H,1,4-5,10-13H2,(H,25,26)
InChIKeyJRUSSPHGLMTGEG-UHFFFAOYSA-N
MW391.90 g/mol
LogP5.00
Rot. Bonds4

About 2-chloro-6-(2-piperidin-1-ylethylamino)indeno[2,1-c]quinolin-7-one

2-chloro-6-(2-piperidin-1-ylethylamino)indeno[2,1-c]quinolin-7-one (PubChem CID 118717814) has the molecular formula C23H22ClN3O and a molecular weight of 391.90 g/mol. Its IUPAC name is 2-chloro-6-(2-piperidin-1-ylethylamino)indeno[2,1-c]quinolin-7-one.

Molecular Properties

Compound Name2-chloro-6-(2-piperidin-1-ylethylamino)indeno[2,1-c]quinolin-7-one
PubChem CID118717814
Molecular FormulaC23H22ClN3O
Molecular Weight391.90 g/mol
Exact Mass391.15
IUPAC Name2-chloro-6-(2-piperidin-1-ylethylamino)indeno[2,1-c]quinolin-7-one
SMILESO=C1c2ccccc2-c2c1c(NCCN1CCCCC1)nc1ccc(Cl)cc21
InChIInChI=1S/C23H22ClN3O/c24-15-8-9-19-18(14-15)20-16-6-2-3-7-17(16)22(28)21(20)23(26-19)25-10-13-27-11-4-1-5-12-27/h2-3,6-9,14H,1,4-5,10-13H2,(H,25,26)
InChIKeyJRUSSPHGLMTGEG-UHFFFAOYSA-N
XLogP5.00
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-piperidin-1-ylethylamino)indeno[2,1-c]quinolin-7-one?
The IUPAC name of 2-chloro-6-(2-piperidin-1-ylethylamino)indeno[2,1-c]quinolin-7-one (CID 118717814) is 2-chloro-6-(2-piperidin-1-ylethylamino)indeno[2,1-c]quinolin-7-one.
What is the SMILES notation for 2-chloro-6-(2-piperidin-1-ylethylamino)indeno[2,1-c]quinolin-7-one?
The canonical SMILES for 2-chloro-6-(2-piperidin-1-ylethylamino)indeno[2,1-c]quinolin-7-one is O=C1c2ccccc2-c2c1c(NCCN1CCCCC1)nc1ccc(Cl)cc21.
What is the InChIKey of 2-chloro-6-(2-piperidin-1-ylethylamino)indeno[2,1-c]quinolin-7-one?
The InChIKey is JRUSSPHGLMTGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O/c24-15-8-9-19-18(14-15)20-16-6-2-3-7-17(16)22(28)21(20)23(26-19)25-10-13-27-11-4-1-5-12-27/h2-3,6-9,14H,1,4-5,10-13H2,(H,25,26).
What are the key properties of 2-chloro-6-(2-piperidin-1-ylethylamino)indeno[2,1-c]quinolin-7-one?
2-chloro-6-(2-piperidin-1-ylethylamino)indeno[2,1-c]quinolin-7-one has a molecular weight of 391.90 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-piperidin-1-ylethylamino)indeno[2,1-c]quinolin-7-one is sourced from PubChem (CID 118717814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).