2-[4-(2-ethoxyphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile

C23H17N3O2 — CID 56587975

IUPAC2-[4-(2-ethoxyphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile
SMILESCCOc1ccccc1-c1ccc(-c2[nH]c3ccncc3c(=O)c2C#N)cc1
InChIInChI=1S/C23H17N3O2/c1-2-28-21-6-4-3-5-17(21)15-7-9-16(10-8-15)22-18(13-24)23(27)19-14-25-12-11-20(19)26-22/h3-12,14H,2H2,1H3,(H,26,27)
InChIKeyIMYDUDGJIZQSHN-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.53
Rot. Bonds4

About 2-[4-(2-ethoxyphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile

2-[4-(2-ethoxyphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile (PubChem CID 56587975) has the molecular formula C23H17N3O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-[4-(2-ethoxyphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(2-ethoxyphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile
PubChem CID56587975
Molecular FormulaC23H17N3O2
Molecular Weight367.41 g/mol
Exact Mass367.13
IUPAC Name2-[4-(2-ethoxyphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile
SMILESCCOc1ccccc1-c1ccc(-c2[nH]c3ccncc3c(=O)c2C#N)cc1
InChIInChI=1S/C23H17N3O2/c1-2-28-21-6-4-3-5-17(21)15-7-9-16(10-8-15)22-18(13-24)23(27)19-14-25-12-11-20(19)26-22/h3-12,14H,2H2,1H3,(H,26,27)
InChIKeyIMYDUDGJIZQSHN-UHFFFAOYSA-N
XLogP4.53
TPSA78.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethoxyphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 2-[4-(2-ethoxyphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile (CID 56587975) is 2-[4-(2-ethoxyphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(2-ethoxyphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(2-ethoxyphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile is CCOc1ccccc1-c1ccc(-c2[nH]c3ccncc3c(=O)c2C#N)cc1.
What is the InChIKey of 2-[4-(2-ethoxyphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile?
The InChIKey is IMYDUDGJIZQSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2/c1-2-28-21-6-4-3-5-17(21)15-7-9-16(10-8-15)22-18(13-24)23(27)19-14-25-12-11-20(19)26-22/h3-12,14H,2H2,1H3,(H,26,27).
What are the key properties of 2-[4-(2-ethoxyphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile?
2-[4-(2-ethoxyphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile has a molecular weight of 367.41 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxyphenyl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 56587975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).