2-[6-(3-methoxyphenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one

C22H18N2O2 — CID 70687937

IUPAC2-[6-(3-methoxyphenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one
SMILESCOc1cccc(-c2ccc(-c3[nH]c4ccccc4c(=O)c3C)cn2)c1
InChIInChI=1S/C22H18N2O2/c1-14-21(24-20-9-4-3-8-18(20)22(14)25)16-10-11-19(23-13-16)15-6-5-7-17(12-15)26-2/h3-13H,1-2H3,(H,24,25)
InChIKeyQSNANYRXRGLDNN-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.57
Rot. Bonds3

About 2-[6-(3-methoxyphenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one

2-[6-(3-methoxyphenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one (PubChem CID 70687937) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[6-(3-methoxyphenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[6-(3-methoxyphenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one
PubChem CID70687937
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name2-[6-(3-methoxyphenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one
SMILESCOc1cccc(-c2ccc(-c3[nH]c4ccccc4c(=O)c3C)cn2)c1
InChIInChI=1S/C22H18N2O2/c1-14-21(24-20-9-4-3-8-18(20)22(14)25)16-10-11-19(23-13-16)15-6-5-7-17(12-15)26-2/h3-13H,1-2H3,(H,24,25)
InChIKeyQSNANYRXRGLDNN-UHFFFAOYSA-N
XLogP4.57
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 1272562
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CID 59743926
7-Methoxy-3-methyl-2-[5-[4-(trifluoromethyloxy)phenyl]pyridin-3-yl]quinolin-4-ol
CID 67617600
N-Methyl-N-((2-(1-(2-(methylamino)ethyl)piperidin-4-yl)pyridin-4-yl)methyl)-3-phenoxybenzamide
CID 122707126
N-(3,4-dimethoxybenzyl)-5-(3,5-dimethylphenyl)-2,3'-bipyridine-3-carboxamide
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ROCK inhibitor-2
CID 51003130

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-methoxyphenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one?
The IUPAC name of 2-[6-(3-methoxyphenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one (CID 70687937) is 2-[6-(3-methoxyphenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one.
What is the SMILES notation for 2-[6-(3-methoxyphenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one?
The canonical SMILES for 2-[6-(3-methoxyphenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one is COc1cccc(-c2ccc(-c3[nH]c4ccccc4c(=O)c3C)cn2)c1.
What is the InChIKey of 2-[6-(3-methoxyphenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one?
The InChIKey is QSNANYRXRGLDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-14-21(24-20-9-4-3-8-18(20)22(14)25)16-10-11-19(23-13-16)15-6-5-7-17(12-15)26-2/h3-13H,1-2H3,(H,24,25).
What are the key properties of 2-[6-(3-methoxyphenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one?
2-[6-(3-methoxyphenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one has a molecular weight of 342.40 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-methoxyphenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one is sourced from PubChem (CID 70687937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).