6-bromo-3-(1H-imidazol-2-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one

C19H15BrN4O2 — CID 140936470

IUPAC6-bromo-3-(1H-imidazol-2-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one
SMILESCOc1cc2c(cc1Br)cc(-c1ncc[nH]1)c(=O)n2Cc1ccccn1
InChIInChI=1S/C19H15BrN4O2/c1-26-17-10-16-12(9-15(17)20)8-14(18-22-6-7-23-18)19(25)24(16)11-13-4-2-3-5-21-13/h2-10H,11H2,1H3,(H,22,23)
InChIKeyILVJCBIJDXOARP-UHFFFAOYSA-N
MW411.26 g/mol
LogP3.61
Rot. Bonds4

About 6-bromo-3-(1H-imidazol-2-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one

6-bromo-3-(1H-imidazol-2-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one (PubChem CID 140936470) has the molecular formula C19H15BrN4O2 and a molecular weight of 411.26 g/mol. Its IUPAC name is 6-bromo-3-(1H-imidazol-2-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one.

Molecular Properties

Compound Name6-bromo-3-(1H-imidazol-2-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one
PubChem CID140936470
Molecular FormulaC19H15BrN4O2
Molecular Weight411.26 g/mol
Exact Mass410.04
IUPAC Name6-bromo-3-(1H-imidazol-2-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one
SMILESCOc1cc2c(cc1Br)cc(-c1ncc[nH]1)c(=O)n2Cc1ccccn1
InChIInChI=1S/C19H15BrN4O2/c1-26-17-10-16-12(9-15(17)20)8-14(18-22-6-7-23-18)19(25)24(16)11-13-4-2-3-5-21-13/h2-10H,11H2,1H3,(H,22,23)
InChIKeyILVJCBIJDXOARP-UHFFFAOYSA-N
XLogP3.61
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.26
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(1H-imidazol-2-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one?
The IUPAC name of 6-bromo-3-(1H-imidazol-2-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one (CID 140936470) is 6-bromo-3-(1H-imidazol-2-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one.
What is the SMILES notation for 6-bromo-3-(1H-imidazol-2-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one?
The canonical SMILES for 6-bromo-3-(1H-imidazol-2-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one is COc1cc2c(cc1Br)cc(-c1ncc[nH]1)c(=O)n2Cc1ccccn1.
What is the InChIKey of 6-bromo-3-(1H-imidazol-2-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one?
The InChIKey is ILVJCBIJDXOARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4O2/c1-26-17-10-16-12(9-15(17)20)8-14(18-22-6-7-23-18)19(25)24(16)11-13-4-2-3-5-21-13/h2-10H,11H2,1H3,(H,22,23).
What are the key properties of 6-bromo-3-(1H-imidazol-2-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one?
6-bromo-3-(1H-imidazol-2-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one has a molecular weight of 411.26 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(1H-imidazol-2-yl)-7-methoxy-1-(pyridin-2-ylmethyl)quinolin-2-one is sourced from PubChem (CID 140936470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).