3-amino-6-bromo-4-pyridin-2-yl-1H-quinolin-2-one

C14H10BrN3O — CID 12702961

IUPAC3-amino-6-bromo-4-pyridin-2-yl-1H-quinolin-2-one
SMILESNc1c(-c2ccccn2)c2cc(Br)ccc2[nH]c1=O
InChIInChI=1S/C14H10BrN3O/c15-8-4-5-10-9(7-8)12(13(16)14(19)18-10)11-3-1-2-6-17-11/h1-7H,16H2,(H,18,19)
InChIKeyDVLDFOLKYISENR-UHFFFAOYSA-N
MW316.16 g/mol
LogP2.93
Rot. Bonds1

About 3-amino-6-bromo-4-pyridin-2-yl-1H-quinolin-2-one

3-amino-6-bromo-4-pyridin-2-yl-1H-quinolin-2-one (PubChem CID 12702961) has the molecular formula C14H10BrN3O and a molecular weight of 316.16 g/mol. Its IUPAC name is 3-amino-6-bromo-4-pyridin-2-yl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-amino-6-bromo-4-pyridin-2-yl-1H-quinolin-2-one
PubChem CID12702961
Molecular FormulaC14H10BrN3O
Molecular Weight316.16 g/mol
Exact Mass315.00
IUPAC Name3-amino-6-bromo-4-pyridin-2-yl-1H-quinolin-2-one
SMILESNc1c(-c2ccccn2)c2cc(Br)ccc2[nH]c1=O
InChIInChI=1S/C14H10BrN3O/c15-8-4-5-10-9(7-8)12(13(16)14(19)18-10)11-3-1-2-6-17-11/h1-7H,16H2,(H,18,19)
InChIKeyDVLDFOLKYISENR-UHFFFAOYSA-N
XLogP2.93
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-bromo-4-pyridin-2-yl-1H-quinolin-2-one?
The IUPAC name of 3-amino-6-bromo-4-pyridin-2-yl-1H-quinolin-2-one (CID 12702961) is 3-amino-6-bromo-4-pyridin-2-yl-1H-quinolin-2-one.
What is the SMILES notation for 3-amino-6-bromo-4-pyridin-2-yl-1H-quinolin-2-one?
The canonical SMILES for 3-amino-6-bromo-4-pyridin-2-yl-1H-quinolin-2-one is Nc1c(-c2ccccn2)c2cc(Br)ccc2[nH]c1=O.
What is the InChIKey of 3-amino-6-bromo-4-pyridin-2-yl-1H-quinolin-2-one?
The InChIKey is DVLDFOLKYISENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O/c15-8-4-5-10-9(7-8)12(13(16)14(19)18-10)11-3-1-2-6-17-11/h1-7H,16H2,(H,18,19).
What are the key properties of 3-amino-6-bromo-4-pyridin-2-yl-1H-quinolin-2-one?
3-amino-6-bromo-4-pyridin-2-yl-1H-quinolin-2-one has a molecular weight of 316.16 g/mol, XLogP of 2.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-bromo-4-pyridin-2-yl-1H-quinolin-2-one is sourced from PubChem (CID 12702961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).