8-bromo-7-[(3R)-2-fluoro-3-methyloxan-3-yl]-1,3-dihydroimidazo[4,5-c]quinolin-2-one

C16H15BrFN3O2 — CID 118498679

IUPAC8-bromo-7-[(3R)-2-fluoro-3-methyloxan-3-yl]-1,3-dihydroimidazo[4,5-c]quinolin-2-one
SMILESC[C@]1(c2cc3ncc4[nH]c(=O)[nH]c4c3cc2Br)CCCOC1F
InChIInChI=1S/C16H15BrFN3O2/c1-16(3-2-4-23-14(16)18)9-6-11-8(5-10(9)17)13-12(7-19-11)20-15(22)21-13/h5-7,14H,2-4H2,1H3,(H2,20,21,22)/t14?,16-/m1/s1
InChIKeyUXAZXQYTIJJCIJ-BZSJEYESSA-N
MW380.22 g/mol
LogP3.53
Rot. Bonds1

About 8-bromo-7-[(3R)-2-fluoro-3-methyloxan-3-yl]-1,3-dihydroimidazo[4,5-c]quinolin-2-one

8-bromo-7-[(3R)-2-fluoro-3-methyloxan-3-yl]-1,3-dihydroimidazo[4,5-c]quinolin-2-one (PubChem CID 118498679) has the molecular formula C16H15BrFN3O2 and a molecular weight of 380.22 g/mol. Its IUPAC name is 8-bromo-7-[(3R)-2-fluoro-3-methyloxan-3-yl]-1,3-dihydroimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-bromo-7-[(3R)-2-fluoro-3-methyloxan-3-yl]-1,3-dihydroimidazo[4,5-c]quinolin-2-one
PubChem CID118498679
Molecular FormulaC16H15BrFN3O2
Molecular Weight380.22 g/mol
Exact Mass379.03
IUPAC Name8-bromo-7-[(3R)-2-fluoro-3-methyloxan-3-yl]-1,3-dihydroimidazo[4,5-c]quinolin-2-one
SMILESC[C@]1(c2cc3ncc4[nH]c(=O)[nH]c4c3cc2Br)CCCOC1F
InChIInChI=1S/C16H15BrFN3O2/c1-16(3-2-4-23-14(16)18)9-6-11-8(5-10(9)17)13-12(7-19-11)20-15(22)21-13/h5-7,14H,2-4H2,1H3,(H2,20,21,22)/t14?,16-/m1/s1
InChIKeyUXAZXQYTIJJCIJ-BZSJEYESSA-N
XLogP3.53
TPSA70.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.22
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-7-[(3R)-2-fluoro-3-methyloxan-3-yl]-1,3-dihydroimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-bromo-7-[(3R)-2-fluoro-3-methyloxan-3-yl]-1,3-dihydroimidazo[4,5-c]quinolin-2-one (CID 118498679) is 8-bromo-7-[(3R)-2-fluoro-3-methyloxan-3-yl]-1,3-dihydroimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-bromo-7-[(3R)-2-fluoro-3-methyloxan-3-yl]-1,3-dihydroimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-bromo-7-[(3R)-2-fluoro-3-methyloxan-3-yl]-1,3-dihydroimidazo[4,5-c]quinolin-2-one is C[C@]1(c2cc3ncc4[nH]c(=O)[nH]c4c3cc2Br)CCCOC1F.
What is the InChIKey of 8-bromo-7-[(3R)-2-fluoro-3-methyloxan-3-yl]-1,3-dihydroimidazo[4,5-c]quinolin-2-one?
The InChIKey is UXAZXQYTIJJCIJ-BZSJEYESSA-N. The full InChI is InChI=1S/C16H15BrFN3O2/c1-16(3-2-4-23-14(16)18)9-6-11-8(5-10(9)17)13-12(7-19-11)20-15(22)21-13/h5-7,14H,2-4H2,1H3,(H2,20,21,22)/t14?,16-/m1/s1.
What are the key properties of 8-bromo-7-[(3R)-2-fluoro-3-methyloxan-3-yl]-1,3-dihydroimidazo[4,5-c]quinolin-2-one?
8-bromo-7-[(3R)-2-fluoro-3-methyloxan-3-yl]-1,3-dihydroimidazo[4,5-c]quinolin-2-one has a molecular weight of 380.22 g/mol, XLogP of 3.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-7-[(3R)-2-fluoro-3-methyloxan-3-yl]-1,3-dihydroimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 118498679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).