(4-methoxyphenyl)-(3-pyridin-3-ylnaphthalen-2-yl)methanone

C23H17NO2 — CID 25129462

IUPAC(4-methoxyphenyl)-(3-pyridin-3-ylnaphthalen-2-yl)methanone
SMILESCOc1ccc(C(=O)c2cc3ccccc3cc2-c2cccnc2)cc1
InChIInChI=1S/C23H17NO2/c1-26-20-10-8-16(9-11-20)23(25)22-14-18-6-3-2-5-17(18)13-21(22)19-7-4-12-24-15-19/h2-15H,1H3
InChIKeyWWWMWNQAHZDEPH-UHFFFAOYSA-N
MW339.39 g/mol
LogP5.14
Rot. Bonds4

About (4-methoxyphenyl)-(3-pyridin-3-ylnaphthalen-2-yl)methanone

(4-methoxyphenyl)-(3-pyridin-3-ylnaphthalen-2-yl)methanone (PubChem CID 25129462) has the molecular formula C23H17NO2 and a molecular weight of 339.39 g/mol. Its IUPAC name is (4-methoxyphenyl)-(3-pyridin-3-ylnaphthalen-2-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(3-pyridin-3-ylnaphthalen-2-yl)methanone
PubChem CID25129462
Molecular FormulaC23H17NO2
Molecular Weight339.39 g/mol
Exact Mass339.13
IUPAC Name(4-methoxyphenyl)-(3-pyridin-3-ylnaphthalen-2-yl)methanone
SMILESCOc1ccc(C(=O)c2cc3ccccc3cc2-c2cccnc2)cc1
InChIInChI=1S/C23H17NO2/c1-26-20-10-8-16(9-11-20)23(25)22-14-18-6-3-2-5-17(18)13-21(22)19-7-4-12-24-15-19/h2-15H,1H3
InChIKeyWWWMWNQAHZDEPH-UHFFFAOYSA-N
XLogP5.14
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.39
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(3-pyridin-3-ylnaphthalen-2-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(3-pyridin-3-ylnaphthalen-2-yl)methanone (CID 25129462) is (4-methoxyphenyl)-(3-pyridin-3-ylnaphthalen-2-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(3-pyridin-3-ylnaphthalen-2-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(3-pyridin-3-ylnaphthalen-2-yl)methanone is COc1ccc(C(=O)c2cc3ccccc3cc2-c2cccnc2)cc1.
What is the InChIKey of (4-methoxyphenyl)-(3-pyridin-3-ylnaphthalen-2-yl)methanone?
The InChIKey is WWWMWNQAHZDEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO2/c1-26-20-10-8-16(9-11-20)23(25)22-14-18-6-3-2-5-17(18)13-21(22)19-7-4-12-24-15-19/h2-15H,1H3.
What are the key properties of (4-methoxyphenyl)-(3-pyridin-3-ylnaphthalen-2-yl)methanone?
(4-methoxyphenyl)-(3-pyridin-3-ylnaphthalen-2-yl)methanone has a molecular weight of 339.39 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(3-pyridin-3-ylnaphthalen-2-yl)methanone is sourced from PubChem (CID 25129462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).