3-amino-4-chloro-7-methoxy-1,3-dihydroindol-2-one

C9H9ClN2O2 — CID 82234613

IUPAC3-amino-4-chloro-7-methoxy-1,3-dihydroindol-2-one
SMILESCOc1ccc(Cl)c2c1NC(=O)C2N
InChIInChI=1S/C9H9ClN2O2/c1-14-5-3-2-4(10)6-7(11)9(13)12-8(5)6/h2-3,7H,11H2,1H3,(H,12,13)
InChIKeySBNZRPJSVRYRFU-UHFFFAOYSA-N
MW212.64 g/mol
LogP1.30
Rot. Bonds1

About 3-amino-4-chloro-7-methoxy-1,3-dihydroindol-2-one

3-amino-4-chloro-7-methoxy-1,3-dihydroindol-2-one (PubChem CID 82234613) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is 3-amino-4-chloro-7-methoxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-4-chloro-7-methoxy-1,3-dihydroindol-2-one
PubChem CID82234613
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name3-amino-4-chloro-7-methoxy-1,3-dihydroindol-2-one
SMILESCOc1ccc(Cl)c2c1NC(=O)C2N
InChIInChI=1S/C9H9ClN2O2/c1-14-5-3-2-4(10)6-7(11)9(13)12-8(5)6/h2-3,7H,11H2,1H3,(H,12,13)
InChIKeySBNZRPJSVRYRFU-UHFFFAOYSA-N
XLogP1.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-7-methoxy-1H-indole-2,3-dione
CID 12511940
7-methoxy-4-methyl-3-methylsulfanyl-1,3-dihydroindol-2-one
CID 44719100
(1S)-7-chloro-4-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine
CID 104546591
4-chloro-7-methoxyisoindole-1,3-dione
CID 86201786
8-chloro-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104546598
2-amino-2-(4-chloro-7-methoxy-2,3-dihydro-1H-indol-3-yl)ethanol
CID 83868546
1-(4-chloro-7-methoxy-2,3-dihydro-1H-indol-3-yl)propan-2-amine
CID 83868514
7-methoxy-3-nitroso-4-phenyl-1,3-dihydroindol-2-one
CID 57037736
3-amino-7-methoxy-5-nitro-1,3-dihydroindol-2-one
CID 82235274
5-(2-chloro-6-methoxyphenyl)-1,3-oxazolidine-2,4-dione
CID 13092015
2-(2-chloro-6-methoxyphenyl)cyclopropan-1-amine
CID 104817620
3-(aminomethyl)-7-methoxy-1,3-dihydroindol-2-one
CID 82075718

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-7-methoxy-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-4-chloro-7-methoxy-1,3-dihydroindol-2-one (CID 82234613) is 3-amino-4-chloro-7-methoxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-4-chloro-7-methoxy-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-4-chloro-7-methoxy-1,3-dihydroindol-2-one is COc1ccc(Cl)c2c1NC(=O)C2N.
What is the InChIKey of 3-amino-4-chloro-7-methoxy-1,3-dihydroindol-2-one?
The InChIKey is SBNZRPJSVRYRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c1-14-5-3-2-4(10)6-7(11)9(13)12-8(5)6/h2-3,7H,11H2,1H3,(H,12,13).
What are the key properties of 3-amino-4-chloro-7-methoxy-1,3-dihydroindol-2-one?
3-amino-4-chloro-7-methoxy-1,3-dihydroindol-2-one has a molecular weight of 212.64 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-7-methoxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 82234613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).