1-[4-[2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone

C24H24N4O2 — CID 54670207

IUPAC1-[4-[2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1CC=C(c2cccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C24H24N4O2/c1-17(29)27-13-10-18(11-14-27)21-6-4-12-25-24(21)30-20-15-28(16-20)23-9-8-19-5-2-3-7-22(19)26-23/h2-10,12,20H,11,13-16H2,1H3
InChIKeyYODIYFNFHYLREM-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.53
Rot. Bonds4

About 1-[4-[2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone

1-[4-[2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 54670207) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-[4-[2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID54670207
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name1-[4-[2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1CC=C(c2cccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C24H24N4O2/c1-17(29)27-13-10-18(11-14-27)21-6-4-12-25-24(21)30-20-15-28(16-20)23-9-8-19-5-2-3-7-22(19)26-23/h2-10,12,20H,11,13-16H2,1H3
InChIKeyYODIYFNFHYLREM-UHFFFAOYSA-N
XLogP3.53
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 54670207) is 1-[4-[2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone is CC(=O)N1CC=C(c2cccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1.
What is the InChIKey of 1-[4-[2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is YODIYFNFHYLREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-17(29)27-13-10-18(11-14-27)21-6-4-12-25-24(21)30-20-15-28(16-20)23-9-8-19-5-2-3-7-22(19)26-23/h2-10,12,20H,11,13-16H2,1H3.
What are the key properties of 1-[4-[2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
1-[4-[2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 400.48 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 54670207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).