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

C16H15BrFN3O2 — CID 118498648

IUPAC8-bromo-7-(2-fluoro-4-methyloxan-4-yl)-1,3-dihydroimidazo[4,5-c]quinolin-2-one
SMILESCC1(c2cc3ncc4[nH]c(=O)[nH]c4c3cc2Br)CCOC(F)C1
InChIInChI=1S/C16H15BrFN3O2/c1-16(2-3-23-13(18)6-16)9-5-11-8(4-10(9)17)14-12(7-19-11)20-15(22)21-14/h4-5,7,13H,2-3,6H2,1H3,(H2,20,21,22)
InChIKeyBCHDNDYGZBBBHD-UHFFFAOYSA-N
MW380.22 g/mol
LogP3.53
Rot. Bonds1

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

8-bromo-7-(2-fluoro-4-methyloxan-4-yl)-1,3-dihydroimidazo[4,5-c]quinolin-2-one (PubChem CID 118498648) has the molecular formula C16H15BrFN3O2 and a molecular weight of 380.22 g/mol. Its IUPAC name is 8-bromo-7-(2-fluoro-4-methyloxan-4-yl)-1,3-dihydroimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-bromo-7-(2-fluoro-4-methyloxan-4-yl)-1,3-dihydroimidazo[4,5-c]quinolin-2-one
PubChem CID118498648
Molecular FormulaC16H15BrFN3O2
Molecular Weight380.22 g/mol
Exact Mass379.03
IUPAC Name8-bromo-7-(2-fluoro-4-methyloxan-4-yl)-1,3-dihydroimidazo[4,5-c]quinolin-2-one
SMILESCC1(c2cc3ncc4[nH]c(=O)[nH]c4c3cc2Br)CCOC(F)C1
InChIInChI=1S/C16H15BrFN3O2/c1-16(2-3-23-13(18)6-16)9-5-11-8(4-10(9)17)14-12(7-19-11)20-15(22)21-14/h4-5,7,13H,2-3,6H2,1H3,(H2,20,21,22)
InChIKeyBCHDNDYGZBBBHD-UHFFFAOYSA-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-(2-fluoro-4-methyloxan-4-yl)-1,3-dihydroimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-bromo-7-(2-fluoro-4-methyloxan-4-yl)-1,3-dihydroimidazo[4,5-c]quinolin-2-one (CID 118498648) is 8-bromo-7-(2-fluoro-4-methyloxan-4-yl)-1,3-dihydroimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-bromo-7-(2-fluoro-4-methyloxan-4-yl)-1,3-dihydroimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-bromo-7-(2-fluoro-4-methyloxan-4-yl)-1,3-dihydroimidazo[4,5-c]quinolin-2-one is CC1(c2cc3ncc4[nH]c(=O)[nH]c4c3cc2Br)CCOC(F)C1.
What is the InChIKey of 8-bromo-7-(2-fluoro-4-methyloxan-4-yl)-1,3-dihydroimidazo[4,5-c]quinolin-2-one?
The InChIKey is BCHDNDYGZBBBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN3O2/c1-16(2-3-23-13(18)6-16)9-5-11-8(4-10(9)17)14-12(7-19-11)20-15(22)21-14/h4-5,7,13H,2-3,6H2,1H3,(H2,20,21,22).
What are the key properties of 8-bromo-7-(2-fluoro-4-methyloxan-4-yl)-1,3-dihydroimidazo[4,5-c]quinolin-2-one?
8-bromo-7-(2-fluoro-4-methyloxan-4-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-(2-fluoro-4-methyloxan-4-yl)-1,3-dihydroimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 118498648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).