7-chloro-3-hydroxy-1-methyl-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one

C21H16ClNO3 — CID 150804057

IUPAC7-chloro-3-hydroxy-1-methyl-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
SMILESCN1C(=O)C(O)(CC(=O)c2ccc3ccccc3c2)c2cccc(Cl)c21
InChIInChI=1S/C21H16ClNO3/c1-23-19-16(7-4-8-17(19)22)21(26,20(23)25)12-18(24)15-10-9-13-5-2-3-6-14(13)11-15/h2-11,26H,12H2,1H3
InChIKeyKGMGPHDKFSIKLI-UHFFFAOYSA-N
MW365.82 g/mol
LogP3.93
Rot. Bonds3

About 7-chloro-3-hydroxy-1-methyl-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one

7-chloro-3-hydroxy-1-methyl-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one (PubChem CID 150804057) has the molecular formula C21H16ClNO3 and a molecular weight of 365.82 g/mol. Its IUPAC name is 7-chloro-3-hydroxy-1-methyl-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one.

Molecular Properties

Compound Name7-chloro-3-hydroxy-1-methyl-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
PubChem CID150804057
Molecular FormulaC21H16ClNO3
Molecular Weight365.82 g/mol
Exact Mass365.08
IUPAC Name7-chloro-3-hydroxy-1-methyl-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
SMILESCN1C(=O)C(O)(CC(=O)c2ccc3ccccc3c2)c2cccc(Cl)c21
InChIInChI=1S/C21H16ClNO3/c1-23-19-16(7-4-8-17(19)22)21(26,20(23)25)12-18(24)15-10-9-13-5-2-3-6-14(13)11-15/h2-11,26H,12H2,1H3
InChIKeyKGMGPHDKFSIKLI-UHFFFAOYSA-N
XLogP3.93
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-chloro-3-hydroxy-1-methyl-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-5-iodo-1-methyl-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 152724333
5-fluoro-3-hydroxy-1-methyl-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 151072238
(3R)-4,6-dichloro-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1H-indol-2-one
CID 7559976
1-[(4-chlorophenyl)methyl]-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 5127971
(3S)-1-[(3-chlorophenyl)methyl]-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 95244688
3-hydroxy-1-(2-methylpropyl)-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 45259080
(3R)-5-chloro-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 40875805
(3S)-3-hydroxy-1-(2-methylprop-2-enyl)-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 1255704
(3R)-3-hydroxy-1-(2-methylprop-2-enyl)-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 1255705
5-bromo-1-butyl-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 17077544
(3R)-3-hydroxy-1-[(2-methylphenyl)methyl]-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 27522911
(3S)-3-hydroxy-1-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-2-one
CID 772929

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-hydroxy-1-methyl-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one?
The IUPAC name of 7-chloro-3-hydroxy-1-methyl-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one (CID 150804057) is 7-chloro-3-hydroxy-1-methyl-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one.
What is the SMILES notation for 7-chloro-3-hydroxy-1-methyl-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one?
The canonical SMILES for 7-chloro-3-hydroxy-1-methyl-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one is CN1C(=O)C(O)(CC(=O)c2ccc3ccccc3c2)c2cccc(Cl)c21.
What is the InChIKey of 7-chloro-3-hydroxy-1-methyl-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one?
The InChIKey is KGMGPHDKFSIKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClNO3/c1-23-19-16(7-4-8-17(19)22)21(26,20(23)25)12-18(24)15-10-9-13-5-2-3-6-14(13)11-15/h2-11,26H,12H2,1H3.
What are the key properties of 7-chloro-3-hydroxy-1-methyl-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one?
7-chloro-3-hydroxy-1-methyl-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one has a molecular weight of 365.82 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-hydroxy-1-methyl-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one is sourced from PubChem (CID 150804057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).