6-chloro-4-[1-naphthalen-2-ylethyl(piperidin-4-yl)amino]chromen-2-one

C26H25ClN2O2 — CID 22348005

IUPAC6-chloro-4-[1-naphthalen-2-ylethyl(piperidin-4-yl)amino]chromen-2-one
SMILESCC(c1ccc2ccccc2c1)N(c1cc(=O)oc2ccc(Cl)cc12)C1CCNCC1
InChIInChI=1S/C26H25ClN2O2/c1-17(19-7-6-18-4-2-3-5-20(18)14-19)29(22-10-12-28-13-11-22)24-16-26(30)31-25-9-8-21(27)15-23(24)25/h2-9,14-17,22,28H,10-13H2,1H3
InChIKeyIKXVEXUFLGIKMJ-UHFFFAOYSA-N
MW432.95 g/mol
LogP5.92
Rot. Bonds4

About 6-chloro-4-[1-naphthalen-2-ylethyl(piperidin-4-yl)amino]chromen-2-one

6-chloro-4-[1-naphthalen-2-ylethyl(piperidin-4-yl)amino]chromen-2-one (PubChem CID 22348005) has the molecular formula C26H25ClN2O2 and a molecular weight of 432.95 g/mol. Its IUPAC name is 6-chloro-4-[1-naphthalen-2-ylethyl(piperidin-4-yl)amino]chromen-2-one.

Molecular Properties

Compound Name6-chloro-4-[1-naphthalen-2-ylethyl(piperidin-4-yl)amino]chromen-2-one
PubChem CID22348005
Molecular FormulaC26H25ClN2O2
Molecular Weight432.95 g/mol
Exact Mass432.16
IUPAC Name6-chloro-4-[1-naphthalen-2-ylethyl(piperidin-4-yl)amino]chromen-2-one
SMILESCC(c1ccc2ccccc2c1)N(c1cc(=O)oc2ccc(Cl)cc12)C1CCNCC1
InChIInChI=1S/C26H25ClN2O2/c1-17(19-7-6-18-4-2-3-5-20(18)14-19)29(22-10-12-28-13-11-22)24-16-26(30)31-25-9-8-21(27)15-23(24)25/h2-9,14-17,22,28H,10-13H2,1H3
InChIKeyIKXVEXUFLGIKMJ-UHFFFAOYSA-N
XLogP5.92
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.95
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[1-naphthalen-2-ylethyl(piperidin-4-yl)amino]chromen-2-one?
The IUPAC name of 6-chloro-4-[1-naphthalen-2-ylethyl(piperidin-4-yl)amino]chromen-2-one (CID 22348005) is 6-chloro-4-[1-naphthalen-2-ylethyl(piperidin-4-yl)amino]chromen-2-one.
What is the SMILES notation for 6-chloro-4-[1-naphthalen-2-ylethyl(piperidin-4-yl)amino]chromen-2-one?
The canonical SMILES for 6-chloro-4-[1-naphthalen-2-ylethyl(piperidin-4-yl)amino]chromen-2-one is CC(c1ccc2ccccc2c1)N(c1cc(=O)oc2ccc(Cl)cc12)C1CCNCC1.
What is the InChIKey of 6-chloro-4-[1-naphthalen-2-ylethyl(piperidin-4-yl)amino]chromen-2-one?
The InChIKey is IKXVEXUFLGIKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2O2/c1-17(19-7-6-18-4-2-3-5-20(18)14-19)29(22-10-12-28-13-11-22)24-16-26(30)31-25-9-8-21(27)15-23(24)25/h2-9,14-17,22,28H,10-13H2,1H3.
What are the key properties of 6-chloro-4-[1-naphthalen-2-ylethyl(piperidin-4-yl)amino]chromen-2-one?
6-chloro-4-[1-naphthalen-2-ylethyl(piperidin-4-yl)amino]chromen-2-one has a molecular weight of 432.95 g/mol, XLogP of 5.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[1-naphthalen-2-ylethyl(piperidin-4-yl)amino]chromen-2-one is sourced from PubChem (CID 22348005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).