4-[(3-chlorophenyl)methoxy]-1-methyl-5-pyridin-3-yl-3H-indol-2-one

C21H17ClN2O2 — CID 66793948

IUPAC4-[(3-chlorophenyl)methoxy]-1-methyl-5-pyridin-3-yl-3H-indol-2-one
SMILESCN1C(=O)Cc2c1ccc(-c1cccnc1)c2OCc1cccc(Cl)c1
InChIInChI=1S/C21H17ClN2O2/c1-24-19-8-7-17(15-5-3-9-23-12-15)21(18(19)11-20(24)25)26-13-14-4-2-6-16(22)10-14/h2-10,12H,11,13H2,1H3
InChIKeyIFSKWRRSOAKRFM-UHFFFAOYSA-N
MW364.83 g/mol
LogP4.50
Rot. Bonds4

About 4-[(3-chlorophenyl)methoxy]-1-methyl-5-pyridin-3-yl-3H-indol-2-one

4-[(3-chlorophenyl)methoxy]-1-methyl-5-pyridin-3-yl-3H-indol-2-one (PubChem CID 66793948) has the molecular formula C21H17ClN2O2 and a molecular weight of 364.83 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methoxy]-1-methyl-5-pyridin-3-yl-3H-indol-2-one.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methoxy]-1-methyl-5-pyridin-3-yl-3H-indol-2-one
PubChem CID66793948
Molecular FormulaC21H17ClN2O2
Molecular Weight364.83 g/mol
Exact Mass364.10
IUPAC Name4-[(3-chlorophenyl)methoxy]-1-methyl-5-pyridin-3-yl-3H-indol-2-one
SMILESCN1C(=O)Cc2c1ccc(-c1cccnc1)c2OCc1cccc(Cl)c1
InChIInChI=1S/C21H17ClN2O2/c1-24-19-8-7-17(15-5-3-9-23-12-15)21(18(19)11-20(24)25)26-13-14-4-2-6-16(22)10-14/h2-10,12H,11,13H2,1H3
InChIKeyIFSKWRRSOAKRFM-UHFFFAOYSA-N
XLogP4.50
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-methyl-5-(5-pyridin-3-yl-3-pyridinyl)-3H-indol-2-one
CID 66793837
(3-chlorophenyl)methyl pyridine-3-carboxylate
CID 3463930
2-phenylmethoxy-3-pyridin-3-ylbenzaldehyde
CID 22444385
3-[[6-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]-5-pyridin-3-yl-1,2-oxazole
CID 175811539
7-chloro-1-methyl-5-pyridin-3-yl-3H-1,4-benzodiazepin-2-one;5,7-dichloro-1-methyl-3H-1,4-benzodiazepin-2-one;pyridin-3-ylboronic acid
CID 157342523
4-[(3-chlorophenyl)methoxy]-3,5-dimethoxybenzoic acid
CID 59303396
3-[4-chloro-2-(phenoxymethyl)phenyl]pyridine
CID 90713874
[3-[(3-chlorophenyl)methoxy]-4-pyridinyl]methanol
CID 105067190
3-(4-chloro-2-methylphenyl)pyridine
CID 46317046
3-[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]pyridine
CID 58373859
4-[(3-chlorophenyl)methoxy]pyridin-3-amine
CID 65126775
2-(3-chlorophenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 58349292

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methoxy]-1-methyl-5-pyridin-3-yl-3H-indol-2-one?
The IUPAC name of 4-[(3-chlorophenyl)methoxy]-1-methyl-5-pyridin-3-yl-3H-indol-2-one (CID 66793948) is 4-[(3-chlorophenyl)methoxy]-1-methyl-5-pyridin-3-yl-3H-indol-2-one.
What is the SMILES notation for 4-[(3-chlorophenyl)methoxy]-1-methyl-5-pyridin-3-yl-3H-indol-2-one?
The canonical SMILES for 4-[(3-chlorophenyl)methoxy]-1-methyl-5-pyridin-3-yl-3H-indol-2-one is CN1C(=O)Cc2c1ccc(-c1cccnc1)c2OCc1cccc(Cl)c1.
What is the InChIKey of 4-[(3-chlorophenyl)methoxy]-1-methyl-5-pyridin-3-yl-3H-indol-2-one?
The InChIKey is IFSKWRRSOAKRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O2/c1-24-19-8-7-17(15-5-3-9-23-12-15)21(18(19)11-20(24)25)26-13-14-4-2-6-16(22)10-14/h2-10,12H,11,13H2,1H3.
What are the key properties of 4-[(3-chlorophenyl)methoxy]-1-methyl-5-pyridin-3-yl-3H-indol-2-one?
4-[(3-chlorophenyl)methoxy]-1-methyl-5-pyridin-3-yl-3H-indol-2-one has a molecular weight of 364.83 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methoxy]-1-methyl-5-pyridin-3-yl-3H-indol-2-one is sourced from PubChem (CID 66793948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).