7-methyl-4-phenoxy-2-phenyl-1,8-naphthyridine

C21H16N2O — CID 10828916

IUPAC7-methyl-4-phenoxy-2-phenyl-1,8-naphthyridine
SMILESCc1ccc2c(Oc3ccccc3)cc(-c3ccccc3)nc2n1
InChIInChI=1S/C21H16N2O/c1-15-12-13-18-20(24-17-10-6-3-7-11-17)14-19(23-21(18)22-15)16-8-4-2-5-9-16/h2-14H,1H3
InChIKeyNGZKBFPWUDPEFK-UHFFFAOYSA-N
MW312.37 g/mol
LogP5.40
Rot. Bonds3

About 7-methyl-4-phenoxy-2-phenyl-1,8-naphthyridine

7-methyl-4-phenoxy-2-phenyl-1,8-naphthyridine (PubChem CID 10828916) has the molecular formula C21H16N2O and a molecular weight of 312.37 g/mol. Its IUPAC name is 7-methyl-4-phenoxy-2-phenyl-1,8-naphthyridine.

Molecular Properties

Compound Name7-methyl-4-phenoxy-2-phenyl-1,8-naphthyridine
PubChem CID10828916
Molecular FormulaC21H16N2O
Molecular Weight312.37 g/mol
Exact Mass312.13
IUPAC Name7-methyl-4-phenoxy-2-phenyl-1,8-naphthyridine
SMILESCc1ccc2c(Oc3ccccc3)cc(-c3ccccc3)nc2n1
InChIInChI=1S/C21H16N2O/c1-15-12-13-18-20(24-17-10-6-3-7-11-17)14-19(23-21(18)22-15)16-8-4-2-5-9-16/h2-14H,1H3
InChIKeyNGZKBFPWUDPEFK-UHFFFAOYSA-N
XLogP5.40
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.37
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-phenoxy-2-phenyl-1,8-naphthyridine?
The IUPAC name of 7-methyl-4-phenoxy-2-phenyl-1,8-naphthyridine (CID 10828916) is 7-methyl-4-phenoxy-2-phenyl-1,8-naphthyridine.
What is the SMILES notation for 7-methyl-4-phenoxy-2-phenyl-1,8-naphthyridine?
The canonical SMILES for 7-methyl-4-phenoxy-2-phenyl-1,8-naphthyridine is Cc1ccc2c(Oc3ccccc3)cc(-c3ccccc3)nc2n1.
What is the InChIKey of 7-methyl-4-phenoxy-2-phenyl-1,8-naphthyridine?
The InChIKey is NGZKBFPWUDPEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O/c1-15-12-13-18-20(24-17-10-6-3-7-11-17)14-19(23-21(18)22-15)16-8-4-2-5-9-16/h2-14H,1H3.
What are the key properties of 7-methyl-4-phenoxy-2-phenyl-1,8-naphthyridine?
7-methyl-4-phenoxy-2-phenyl-1,8-naphthyridine has a molecular weight of 312.37 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-phenoxy-2-phenyl-1,8-naphthyridine is sourced from PubChem (CID 10828916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).