7-chloro-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-1,3-dihydroindol-2-one

C19H19ClN2O2 — CID 10688703

IUPAC7-chloro-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(OCCN3CCc4ccccc4C3)ccc(Cl)c2N1
InChIInChI=1S/C19H19ClN2O2/c20-16-5-6-17(15-11-18(23)21-19(15)16)24-10-9-22-8-7-13-3-1-2-4-14(13)12-22/h1-6H,7-12H2,(H,21,23)
InChIKeySGXCVUNIJPMXHZ-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.27
Rot. Bonds4

About 7-chloro-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-1,3-dihydroindol-2-one

7-chloro-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-1,3-dihydroindol-2-one (PubChem CID 10688703) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 7-chloro-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-chloro-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-1,3-dihydroindol-2-one
PubChem CID10688703
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name7-chloro-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(OCCN3CCc4ccccc4C3)ccc(Cl)c2N1
InChIInChI=1S/C19H19ClN2O2/c20-16-5-6-17(15-11-18(23)21-19(15)16)24-10-9-22-8-7-13-3-1-2-4-14(13)12-22/h1-6H,7-12H2,(H,21,23)
InChIKeySGXCVUNIJPMXHZ-UHFFFAOYSA-N
XLogP3.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-3,4-dihydro-1H-isoquinoline
CID 141020951
2-[2-(2-methylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline
CID 82092299
2-[2-(2-chlorophenoxy)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 61014919
2-[2-(2,3-dihydro-1H-benzimidazol-4-yloxy)ethyl]-3,4-dihydro-1H-isoquinoline
CID 142643854
2-[2-(2-phenylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline
CID 1305271
7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 46829776
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]ethanamine
CID 39244545
2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3,4-dihydro-1H-isoquinoline;dihydrobromide
CID 131883166
2-(6-chlorohexyl)-3,4-dihydro-1H-isoquinoline
CID 62227824
4-(3,4-dihydro-1H-isoquinolin-2-yl)butanoyl chloride
CID 39255656
3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl sulfite
CID 174785243
4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]benzonitrile
CID 901228

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-1,3-dihydroindol-2-one?
The IUPAC name of 7-chloro-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-1,3-dihydroindol-2-one (CID 10688703) is 7-chloro-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-chloro-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-1,3-dihydroindol-2-one?
The canonical SMILES for 7-chloro-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-1,3-dihydroindol-2-one is O=C1Cc2c(OCCN3CCc4ccccc4C3)ccc(Cl)c2N1.
What is the InChIKey of 7-chloro-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-1,3-dihydroindol-2-one?
The InChIKey is SGXCVUNIJPMXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c20-16-5-6-17(15-11-18(23)21-19(15)16)24-10-9-22-8-7-13-3-1-2-4-14(13)12-22/h1-6H,7-12H2,(H,21,23).
What are the key properties of 7-chloro-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-1,3-dihydroindol-2-one?
7-chloro-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-1,3-dihydroindol-2-one has a molecular weight of 342.83 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]-1,3-dihydroindol-2-one is sourced from PubChem (CID 10688703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).