2-chloro-8-hydroxy-10,10-dimethyl-7-phenyl-7,9a-dihydropyrido[1,2-a]indol-6-one

C20H18ClNO2 — CID 24870243

IUPAC2-chloro-8-hydroxy-10,10-dimethyl-7-phenyl-7,9a-dihydropyrido[1,2-a]indol-6-one
SMILESCC1(C)c2cc(Cl)ccc2N2C(=O)C(c3ccccc3)C(O)=CC21
InChIInChI=1S/C20H18ClNO2/c1-20(2)14-10-13(21)8-9-15(14)22-17(20)11-16(23)18(19(22)24)12-6-4-3-5-7-12/h3-11,17-18,23H,1-2H3
InChIKeyAHACWLIGZIHEPI-UHFFFAOYSA-N
MW339.82 g/mol
LogP4.57
Rot. Bonds1

About 2-chloro-8-hydroxy-10,10-dimethyl-7-phenyl-7,9a-dihydropyrido[1,2-a]indol-6-one

2-chloro-8-hydroxy-10,10-dimethyl-7-phenyl-7,9a-dihydropyrido[1,2-a]indol-6-one (PubChem CID 24870243) has the molecular formula C20H18ClNO2 and a molecular weight of 339.82 g/mol. Its IUPAC name is 2-chloro-8-hydroxy-10,10-dimethyl-7-phenyl-7,9a-dihydropyrido[1,2-a]indol-6-one.

Molecular Properties

Compound Name2-chloro-8-hydroxy-10,10-dimethyl-7-phenyl-7,9a-dihydropyrido[1,2-a]indol-6-one
PubChem CID24870243
Molecular FormulaC20H18ClNO2
Molecular Weight339.82 g/mol
Exact Mass339.10
IUPAC Name2-chloro-8-hydroxy-10,10-dimethyl-7-phenyl-7,9a-dihydropyrido[1,2-a]indol-6-one
SMILESCC1(C)c2cc(Cl)ccc2N2C(=O)C(c3ccccc3)C(O)=CC21
InChIInChI=1S/C20H18ClNO2/c1-20(2)14-10-13(21)8-9-15(14)22-17(20)11-16(23)18(19(22)24)12-6-4-3-5-7-12/h3-11,17-18,23H,1-2H3
InChIKeyAHACWLIGZIHEPI-UHFFFAOYSA-N
XLogP4.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-hydroxy-10,10-dimethyl-7-phenyl-7,9a-dihydropyrido[1,2-a]indol-6-one?
The IUPAC name of 2-chloro-8-hydroxy-10,10-dimethyl-7-phenyl-7,9a-dihydropyrido[1,2-a]indol-6-one (CID 24870243) is 2-chloro-8-hydroxy-10,10-dimethyl-7-phenyl-7,9a-dihydropyrido[1,2-a]indol-6-one.
What is the SMILES notation for 2-chloro-8-hydroxy-10,10-dimethyl-7-phenyl-7,9a-dihydropyrido[1,2-a]indol-6-one?
The canonical SMILES for 2-chloro-8-hydroxy-10,10-dimethyl-7-phenyl-7,9a-dihydropyrido[1,2-a]indol-6-one is CC1(C)c2cc(Cl)ccc2N2C(=O)C(c3ccccc3)C(O)=CC21.
What is the InChIKey of 2-chloro-8-hydroxy-10,10-dimethyl-7-phenyl-7,9a-dihydropyrido[1,2-a]indol-6-one?
The InChIKey is AHACWLIGZIHEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO2/c1-20(2)14-10-13(21)8-9-15(14)22-17(20)11-16(23)18(19(22)24)12-6-4-3-5-7-12/h3-11,17-18,23H,1-2H3.
What are the key properties of 2-chloro-8-hydroxy-10,10-dimethyl-7-phenyl-7,9a-dihydropyrido[1,2-a]indol-6-one?
2-chloro-8-hydroxy-10,10-dimethyl-7-phenyl-7,9a-dihydropyrido[1,2-a]indol-6-one has a molecular weight of 339.82 g/mol, XLogP of 4.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-hydroxy-10,10-dimethyl-7-phenyl-7,9a-dihydropyrido[1,2-a]indol-6-one is sourced from PubChem (CID 24870243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).