8-bromo-1-[(3R)-oxolan-3-yl]-3H-imidazo[4,5-c]quinolin-2-one

C14H12BrN3O2 — CID 118502860

IUPAC8-bromo-1-[(3R)-oxolan-3-yl]-3H-imidazo[4,5-c]quinolin-2-one
SMILESO=c1[nH]c2cnc3ccc(Br)cc3c2n1[C@@H]1CCOC1
InChIInChI=1S/C14H12BrN3O2/c15-8-1-2-11-10(5-8)13-12(6-16-11)17-14(19)18(13)9-3-4-20-7-9/h1-2,5-6,9H,3-4,7H2,(H,17,19)/t9-/m1/s1
InChIKeySCNYRYYANZOKBI-SECBINFHSA-N
MW334.17 g/mol
LogP2.60
Rot. Bonds1

About 8-bromo-1-[(3R)-oxolan-3-yl]-3H-imidazo[4,5-c]quinolin-2-one

8-bromo-1-[(3R)-oxolan-3-yl]-3H-imidazo[4,5-c]quinolin-2-one (PubChem CID 118502860) has the molecular formula C14H12BrN3O2 and a molecular weight of 334.17 g/mol. Its IUPAC name is 8-bromo-1-[(3R)-oxolan-3-yl]-3H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-bromo-1-[(3R)-oxolan-3-yl]-3H-imidazo[4,5-c]quinolin-2-one
PubChem CID118502860
Molecular FormulaC14H12BrN3O2
Molecular Weight334.17 g/mol
Exact Mass333.01
IUPAC Name8-bromo-1-[(3R)-oxolan-3-yl]-3H-imidazo[4,5-c]quinolin-2-one
SMILESO=c1[nH]c2cnc3ccc(Br)cc3c2n1[C@@H]1CCOC1
InChIInChI=1S/C14H12BrN3O2/c15-8-1-2-11-10(5-8)13-12(6-16-11)17-14(19)18(13)9-3-4-20-7-9/h1-2,5-6,9H,3-4,7H2,(H,17,19)/t9-/m1/s1
InChIKeySCNYRYYANZOKBI-SECBINFHSA-N
XLogP2.60
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-[(3R)-oxolan-3-yl]-3H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-bromo-1-[(3R)-oxolan-3-yl]-3H-imidazo[4,5-c]quinolin-2-one (CID 118502860) is 8-bromo-1-[(3R)-oxolan-3-yl]-3H-imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-bromo-1-[(3R)-oxolan-3-yl]-3H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-bromo-1-[(3R)-oxolan-3-yl]-3H-imidazo[4,5-c]quinolin-2-one is O=c1[nH]c2cnc3ccc(Br)cc3c2n1[C@@H]1CCOC1.
What is the InChIKey of 8-bromo-1-[(3R)-oxolan-3-yl]-3H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is SCNYRYYANZOKBI-SECBINFHSA-N. The full InChI is InChI=1S/C14H12BrN3O2/c15-8-1-2-11-10(5-8)13-12(6-16-11)17-14(19)18(13)9-3-4-20-7-9/h1-2,5-6,9H,3-4,7H2,(H,17,19)/t9-/m1/s1.
What are the key properties of 8-bromo-1-[(3R)-oxolan-3-yl]-3H-imidazo[4,5-c]quinolin-2-one?
8-bromo-1-[(3R)-oxolan-3-yl]-3H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 334.17 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-[(3R)-oxolan-3-yl]-3H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 118502860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).