4-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one

C15H13N3O2 — CID 140919061

IUPAC4-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one
SMILESO=C1N=c2c([C@H]3CCCOC3)nc3ccccc3c2=N1
InChIInChI=1S/C15H13N3O2/c19-15-17-13-10-5-1-2-6-11(10)16-12(14(13)18-15)9-4-3-7-20-8-9/h1-2,5-6,9H,3-4,7-8H2/t9-/m0/s1
InChIKeyREPRWBQMBUNQPK-VIFPVBQESA-N
MW267.29 g/mol
LogP1.50
Rot. Bonds1

About 4-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one

4-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one (PubChem CID 140919061) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name4-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one
PubChem CID140919061
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name4-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one
SMILESO=C1N=c2c([C@H]3CCCOC3)nc3ccccc3c2=N1
InChIInChI=1S/C15H13N3O2/c19-15-17-13-10-5-1-2-6-11(10)16-12(14(13)18-15)9-4-3-7-20-8-9/h1-2,5-6,9H,3-4,7-8H2/t9-/m0/s1
InChIKeyREPRWBQMBUNQPK-VIFPVBQESA-N
XLogP1.50
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 4-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one (CID 140919061) is 4-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 4-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 4-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one is O=C1N=c2c([C@H]3CCCOC3)nc3ccccc3c2=N1.
What is the InChIKey of 4-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one?
The InChIKey is REPRWBQMBUNQPK-VIFPVBQESA-N. The full InChI is InChI=1S/C15H13N3O2/c19-15-17-13-10-5-1-2-6-11(10)16-12(14(13)18-15)9-4-3-7-20-8-9/h1-2,5-6,9H,3-4,7-8H2/t9-/m0/s1.
What are the key properties of 4-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one?
4-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one has a molecular weight of 267.29 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 140919061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).