1-(2-amino-6-pyridin-3-yl-5-quinolin-6-yl-3-pyridinyl)ethanone

C21H16N4O — CID 137423266

IUPAC1-(2-amino-6-pyridin-3-yl-5-quinolin-6-yl-3-pyridinyl)ethanone
SMILESCC(=O)c1cc(-c2ccc3ncccc3c2)c(-c2cccnc2)nc1N
InChIInChI=1S/C21H16N4O/c1-13(26)17-11-18(14-6-7-19-15(10-14)4-3-9-24-19)20(25-21(17)22)16-5-2-8-23-12-16/h2-12H,1H3,(H2,22,25)
InChIKeySVLNUMBFCDYJKL-UHFFFAOYSA-N
MW340.39 g/mol
LogP4.14
Rot. Bonds3

About 1-(2-amino-6-pyridin-3-yl-5-quinolin-6-yl-3-pyridinyl)ethanone

1-(2-amino-6-pyridin-3-yl-5-quinolin-6-yl-3-pyridinyl)ethanone (PubChem CID 137423266) has the molecular formula C21H16N4O and a molecular weight of 340.39 g/mol. Its IUPAC name is 1-(2-amino-6-pyridin-3-yl-5-quinolin-6-yl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(2-amino-6-pyridin-3-yl-5-quinolin-6-yl-3-pyridinyl)ethanone
PubChem CID137423266
Molecular FormulaC21H16N4O
Molecular Weight340.39 g/mol
Exact Mass340.13
IUPAC Name1-(2-amino-6-pyridin-3-yl-5-quinolin-6-yl-3-pyridinyl)ethanone
SMILESCC(=O)c1cc(-c2ccc3ncccc3c2)c(-c2cccnc2)nc1N
InChIInChI=1S/C21H16N4O/c1-13(26)17-11-18(14-6-7-19-15(10-14)4-3-9-24-19)20(25-21(17)22)16-5-2-8-23-12-16/h2-12H,1H3,(H2,22,25)
InChIKeySVLNUMBFCDYJKL-UHFFFAOYSA-N
XLogP4.14
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-pyridin-3-yl-5-quinolin-6-yl-3-pyridinyl)ethanone?
The IUPAC name of 1-(2-amino-6-pyridin-3-yl-5-quinolin-6-yl-3-pyridinyl)ethanone (CID 137423266) is 1-(2-amino-6-pyridin-3-yl-5-quinolin-6-yl-3-pyridinyl)ethanone.
What is the SMILES notation for 1-(2-amino-6-pyridin-3-yl-5-quinolin-6-yl-3-pyridinyl)ethanone?
The canonical SMILES for 1-(2-amino-6-pyridin-3-yl-5-quinolin-6-yl-3-pyridinyl)ethanone is CC(=O)c1cc(-c2ccc3ncccc3c2)c(-c2cccnc2)nc1N.
What is the InChIKey of 1-(2-amino-6-pyridin-3-yl-5-quinolin-6-yl-3-pyridinyl)ethanone?
The InChIKey is SVLNUMBFCDYJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O/c1-13(26)17-11-18(14-6-7-19-15(10-14)4-3-9-24-19)20(25-21(17)22)16-5-2-8-23-12-16/h2-12H,1H3,(H2,22,25).
What are the key properties of 1-(2-amino-6-pyridin-3-yl-5-quinolin-6-yl-3-pyridinyl)ethanone?
1-(2-amino-6-pyridin-3-yl-5-quinolin-6-yl-3-pyridinyl)ethanone has a molecular weight of 340.39 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-pyridin-3-yl-5-quinolin-6-yl-3-pyridinyl)ethanone is sourced from PubChem (CID 137423266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).