8-bromo-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one

C18H14BrFN4O3 — CID 122589348

IUPAC8-bromo-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1Br)n(-c1c(F)cncc1OC)c(=O)n3C
InChIInChI=1S/C18H14BrFN4O3/c1-23-13-7-22-12-5-14(26-2)10(19)4-9(12)16(13)24(18(23)25)17-11(20)6-21-8-15(17)27-3/h4-8H,1-3H3
InChIKeyHDAXBBCIFHWZQK-UHFFFAOYSA-N
MW433.24 g/mol
LogP3.19
Rot. Bonds3

About 8-bromo-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one

8-bromo-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 122589348) has the molecular formula C18H14BrFN4O3 and a molecular weight of 433.24 g/mol. Its IUPAC name is 8-bromo-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-bromo-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID122589348
Molecular FormulaC18H14BrFN4O3
Molecular Weight433.24 g/mol
Exact Mass432.02
IUPAC Name8-bromo-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1Br)n(-c1c(F)cncc1OC)c(=O)n3C
InChIInChI=1S/C18H14BrFN4O3/c1-23-13-7-22-12-5-14(26-2)10(19)4-9(12)16(13)24(18(23)25)17-11(20)6-21-8-15(17)27-3/h4-8H,1-3H3
InChIKeyHDAXBBCIFHWZQK-UHFFFAOYSA-N
XLogP3.19
TPSA71.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.24
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-bromo-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one (CID 122589348) is 8-bromo-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-bromo-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-bromo-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one is COc1cc2ncc3c(c2cc1Br)n(-c1c(F)cncc1OC)c(=O)n3C.
What is the InChIKey of 8-bromo-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is HDAXBBCIFHWZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrFN4O3/c1-23-13-7-22-12-5-14(26-2)10(19)4-9(12)16(13)24(18(23)25)17-11(20)6-21-8-15(17)27-3/h4-8H,1-3H3.
What are the key properties of 8-bromo-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
8-bromo-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 433.24 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 122589348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).