1H-indol-2-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone

C21H17N3O2 — CID 122250203

IUPAC1H-indol-2-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CC(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C21H17N3O2/c25-21(19-11-15-6-2-4-8-18(15)22-19)24-12-16(13-24)26-20-10-9-14-5-1-3-7-17(14)23-20/h1-11,16,22H,12-13H2
InChIKeyUPNXAPBUZXZDBG-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.62
Rot. Bonds3

About 1H-indol-2-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone

1H-indol-2-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone (PubChem CID 122250203) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 1H-indol-2-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name1H-indol-2-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone
PubChem CID122250203
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name1H-indol-2-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CC(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C21H17N3O2/c25-21(19-11-15-6-2-4-8-18(15)22-19)24-12-16(13-24)26-20-10-9-14-5-1-3-7-17(14)23-20/h1-11,16,22H,12-13H2
InChIKeyUPNXAPBUZXZDBG-UHFFFAOYSA-N
XLogP3.62
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone?
The IUPAC name of 1H-indol-2-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone (CID 122250203) is 1H-indol-2-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone.
What is the SMILES notation for 1H-indol-2-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone?
The canonical SMILES for 1H-indol-2-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone is O=C(c1cc2ccccc2[nH]1)N1CC(Oc2ccc3ccccc3n2)C1.
What is the InChIKey of 1H-indol-2-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone?
The InChIKey is UPNXAPBUZXZDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c25-21(19-11-15-6-2-4-8-18(15)22-19)24-12-16(13-24)26-20-10-9-14-5-1-3-7-17(14)23-20/h1-11,16,22H,12-13H2.
What are the key properties of 1H-indol-2-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone?
1H-indol-2-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone has a molecular weight of 343.39 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone is sourced from PubChem (CID 122250203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).