(3S)-3-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-methyl-3H-indol-2-one

C18H18ClNO3 — CID 98160352

IUPAC(3S)-3-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-methyl-3H-indol-2-one
SMILESCOc1cc(Cl)cc(C[C@@H]2C(=O)N(C)c3ccccc32)c1OC
InChIInChI=1S/C18H18ClNO3/c1-20-15-7-5-4-6-13(15)14(18(20)21)9-11-8-12(19)10-16(22-2)17(11)23-3/h4-8,10,14H,9H2,1-3H3/t14-/m0/s1
InChIKeyFWLCELYQPYJMKL-AWEZNQCLSA-N
MW331.80 g/mol
LogP3.66
Rot. Bonds4

About (3S)-3-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-methyl-3H-indol-2-one

(3S)-3-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-methyl-3H-indol-2-one (PubChem CID 98160352) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is (3S)-3-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name(3S)-3-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-methyl-3H-indol-2-one
PubChem CID98160352
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC Name(3S)-3-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-methyl-3H-indol-2-one
SMILESCOc1cc(Cl)cc(C[C@@H]2C(=O)N(C)c3ccccc32)c1OC
InChIInChI=1S/C18H18ClNO3/c1-20-15-7-5-4-6-13(15)14(18(20)21)9-11-8-12(19)10-16(22-2)17(11)23-3/h4-8,10,14H,9H2,1-3H3/t14-/m0/s1
InChIKeyFWLCELYQPYJMKL-AWEZNQCLSA-N
XLogP3.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S)-3-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-methyl-3H-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-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-methyl-3H-indol-2-one
CID 53044238
3-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-methyl-3H-indol-2-one
CID 43912424
(3S)-5-bromo-3-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3H-indol-2-one
CID 51539659
(3R)-3-ethyl-1-methyl-3H-indol-2-one
CID 51382688
5-bromo-1-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one
CID 43912542
1-phenyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one
CID 43912762
3-benzyl-1-methyl-3H-indol-2-one
CID 11207126
(3R)-1-ethyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one
CID 26367748
3-benzyl-5-chloro-1-methyl-3H-indol-2-one
CID 11043888
3-(2-aminoethyl)-1-methyl-3H-indol-2-one
CID 3486621
2-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]ethylazanium
CID 6954862
(3R)-3-(2-hydroxyethyl)-1-methyl-3H-indol-2-one
CID 26342865

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-methyl-3H-indol-2-one?
The IUPAC name of (3S)-3-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-methyl-3H-indol-2-one (CID 98160352) is (3S)-3-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for (3S)-3-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for (3S)-3-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-methyl-3H-indol-2-one is COc1cc(Cl)cc(C[C@@H]2C(=O)N(C)c3ccccc32)c1OC.
What is the InChIKey of (3S)-3-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-methyl-3H-indol-2-one?
The InChIKey is FWLCELYQPYJMKL-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H18ClNO3/c1-20-15-7-5-4-6-13(15)14(18(20)21)9-11-8-12(19)10-16(22-2)17(11)23-3/h4-8,10,14H,9H2,1-3H3/t14-/m0/s1.
What are the key properties of (3S)-3-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-methyl-3H-indol-2-one?
(3S)-3-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-methyl-3H-indol-2-one has a molecular weight of 331.80 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 98160352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).