4-[(3S)-oxolan-3-yl]imidazo[4,5-c]quinolin-2-one

C14H11N3O2 — CID 145305821

IUPAC4-[(3S)-oxolan-3-yl]imidazo[4,5-c]quinolin-2-one
SMILESO=C1N=c2c([C@@H]3CCOC3)nc3ccccc3c2=N1
InChIInChI=1S/C14H11N3O2/c18-14-16-12-9-3-1-2-4-10(9)15-11(13(12)17-14)8-5-6-19-7-8/h1-4,8H,5-7H2/t8-/m1/s1
InChIKeyMAWZPDYAYGZACG-MRVPVSSYSA-N
MW253.26 g/mol
LogP1.11
Rot. Bonds1

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

4-[(3S)-oxolan-3-yl]imidazo[4,5-c]quinolin-2-one (PubChem CID 145305821) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-[(3S)-oxolan-3-yl]imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name4-[(3S)-oxolan-3-yl]imidazo[4,5-c]quinolin-2-one
PubChem CID145305821
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name4-[(3S)-oxolan-3-yl]imidazo[4,5-c]quinolin-2-one
SMILESO=C1N=c2c([C@@H]3CCOC3)nc3ccccc3c2=N1
InChIInChI=1S/C14H11N3O2/c18-14-16-12-9-3-1-2-4-10(9)15-11(13(12)17-14)8-5-6-19-7-8/h1-4,8H,5-7H2/t8-/m1/s1
InChIKeyMAWZPDYAYGZACG-MRVPVSSYSA-N
XLogP1.11
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-oxolan-3-yl]imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 4-[(3S)-oxolan-3-yl]imidazo[4,5-c]quinolin-2-one (CID 145305821) is 4-[(3S)-oxolan-3-yl]imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 4-[(3S)-oxolan-3-yl]imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 4-[(3S)-oxolan-3-yl]imidazo[4,5-c]quinolin-2-one is O=C1N=c2c([C@@H]3CCOC3)nc3ccccc3c2=N1.
What is the InChIKey of 4-[(3S)-oxolan-3-yl]imidazo[4,5-c]quinolin-2-one?
The InChIKey is MAWZPDYAYGZACG-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H11N3O2/c18-14-16-12-9-3-1-2-4-10(9)15-11(13(12)17-14)8-5-6-19-7-8/h1-4,8H,5-7H2/t8-/m1/s1.
What are the key properties of 4-[(3S)-oxolan-3-yl]imidazo[4,5-c]quinolin-2-one?
4-[(3S)-oxolan-3-yl]imidazo[4,5-c]quinolin-2-one has a molecular weight of 253.26 g/mol, XLogP of 1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-oxolan-3-yl]imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 145305821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).