[3-chloro-6-methoxy-2-(2-naphthalen-1-ylphenyl)phenyl]-oxoazanium

C23H17ClNO2+ — CID 162733429

IUPAC[3-chloro-6-methoxy-2-(2-naphthalen-1-ylphenyl)phenyl]-oxoazanium
SMILESCOc1ccc(Cl)c(-c2ccccc2-c2cccc3ccccc23)c1[NH+]=O
InChIInChI=1S/C23H16ClNO2/c1-27-21-14-13-20(24)22(23(21)25-26)19-11-5-4-10-18(19)17-12-6-8-15-7-2-3-9-16(15)17/h2-14H,1H3/p+1
InChIKeySRRKPMQMRGQXSJ-UHFFFAOYSA-O
MW374.85 g/mol
LogP5.31
Rot. Bonds4

About [3-chloro-6-methoxy-2-(2-naphthalen-1-ylphenyl)phenyl]-oxoazanium

[3-chloro-6-methoxy-2-(2-naphthalen-1-ylphenyl)phenyl]-oxoazanium (PubChem CID 162733429) has the molecular formula C23H17ClNO2+ and a molecular weight of 374.85 g/mol. Its IUPAC name is [3-chloro-6-methoxy-2-(2-naphthalen-1-ylphenyl)phenyl]-oxoazanium.

Molecular Properties

Compound Name[3-chloro-6-methoxy-2-(2-naphthalen-1-ylphenyl)phenyl]-oxoazanium
PubChem CID162733429
Molecular FormulaC23H17ClNO2+
Molecular Weight374.85 g/mol
Exact Mass374.09
IUPAC Name[3-chloro-6-methoxy-2-(2-naphthalen-1-ylphenyl)phenyl]-oxoazanium
SMILESCOc1ccc(Cl)c(-c2ccccc2-c2cccc3ccccc23)c1[NH+]=O
InChIInChI=1S/C23H16ClNO2/c1-27-21-14-13-20(24)22(23(21)25-26)19-11-5-4-10-18(19)17-12-6-8-15-7-2-3-9-16(15)17/h2-14H,1H3/p+1
InChIKeySRRKPMQMRGQXSJ-UHFFFAOYSA-O
XLogP5.31
TPSA40.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.85
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-methoxy-2-(2-naphthalen-1-ylphenyl)phenyl]-oxoazanium?
The IUPAC name of [3-chloro-6-methoxy-2-(2-naphthalen-1-ylphenyl)phenyl]-oxoazanium (CID 162733429) is [3-chloro-6-methoxy-2-(2-naphthalen-1-ylphenyl)phenyl]-oxoazanium.
What is the SMILES notation for [3-chloro-6-methoxy-2-(2-naphthalen-1-ylphenyl)phenyl]-oxoazanium?
The canonical SMILES for [3-chloro-6-methoxy-2-(2-naphthalen-1-ylphenyl)phenyl]-oxoazanium is COc1ccc(Cl)c(-c2ccccc2-c2cccc3ccccc23)c1[NH+]=O.
What is the InChIKey of [3-chloro-6-methoxy-2-(2-naphthalen-1-ylphenyl)phenyl]-oxoazanium?
The InChIKey is SRRKPMQMRGQXSJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H16ClNO2/c1-27-21-14-13-20(24)22(23(21)25-26)19-11-5-4-10-18(19)17-12-6-8-15-7-2-3-9-16(15)17/h2-14H,1H3/p+1.
What are the key properties of [3-chloro-6-methoxy-2-(2-naphthalen-1-ylphenyl)phenyl]-oxoazanium?
[3-chloro-6-methoxy-2-(2-naphthalen-1-ylphenyl)phenyl]-oxoazanium has a molecular weight of 374.85 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-methoxy-2-(2-naphthalen-1-ylphenyl)phenyl]-oxoazanium is sourced from PubChem (CID 162733429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).