(3-methoxyphenyl)-(5-pyridin-3-yl-2,3-dihydroindol-1-yl)methanone

C21H18N2O2 — CID 90644550

IUPAC(3-methoxyphenyl)-(5-pyridin-3-yl-2,3-dihydroindol-1-yl)methanone
SMILESCOc1cccc(C(=O)N2CCc3cc(-c4cccnc4)ccc32)c1
InChIInChI=1S/C21H18N2O2/c1-25-19-6-2-4-17(13-19)21(24)23-11-9-16-12-15(7-8-20(16)23)18-5-3-10-22-14-18/h2-8,10,12-14H,9,11H2,1H3
InChIKeyQIQXRCAYJBPXCD-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.96
Rot. Bonds3

About (3-methoxyphenyl)-(5-pyridin-3-yl-2,3-dihydroindol-1-yl)methanone

(3-methoxyphenyl)-(5-pyridin-3-yl-2,3-dihydroindol-1-yl)methanone (PubChem CID 90644550) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is (3-methoxyphenyl)-(5-pyridin-3-yl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-(5-pyridin-3-yl-2,3-dihydroindol-1-yl)methanone
PubChem CID90644550
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name(3-methoxyphenyl)-(5-pyridin-3-yl-2,3-dihydroindol-1-yl)methanone
SMILESCOc1cccc(C(=O)N2CCc3cc(-c4cccnc4)ccc32)c1
InChIInChI=1S/C21H18N2O2/c1-25-19-6-2-4-17(13-19)21(24)23-11-9-16-12-15(7-8-20(16)23)18-5-3-10-22-14-18/h2-8,10,12-14H,9,11H2,1H3
InChIKeyQIQXRCAYJBPXCD-UHFFFAOYSA-N
XLogP3.96
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(5-pyridin-3-yl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (3-methoxyphenyl)-(5-pyridin-3-yl-2,3-dihydroindol-1-yl)methanone (CID 90644550) is (3-methoxyphenyl)-(5-pyridin-3-yl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (3-methoxyphenyl)-(5-pyridin-3-yl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (3-methoxyphenyl)-(5-pyridin-3-yl-2,3-dihydroindol-1-yl)methanone is COc1cccc(C(=O)N2CCc3cc(-c4cccnc4)ccc32)c1.
What is the InChIKey of (3-methoxyphenyl)-(5-pyridin-3-yl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is QIQXRCAYJBPXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-25-19-6-2-4-17(13-19)21(24)23-11-9-16-12-15(7-8-20(16)23)18-5-3-10-22-14-18/h2-8,10,12-14H,9,11H2,1H3.
What are the key properties of (3-methoxyphenyl)-(5-pyridin-3-yl-2,3-dihydroindol-1-yl)methanone?
(3-methoxyphenyl)-(5-pyridin-3-yl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 330.39 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(5-pyridin-3-yl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 90644550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).