[6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium

C24H23N2O2+ — CID 1193926

IUPAC[6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium
SMILESCCc1ccc2oc(-c3ccc(OC)cc3)c/c(=[NH+]\Cc3cccnc3)c2c1
InChIInChI=1S/C24H22N2O2/c1-3-17-6-11-23-21(13-17)22(26-16-18-5-4-12-25-15-18)14-24(28-23)19-7-9-20(27-2)10-8-19/h4-15H,3,16H2,1-2H3/p+1/b26-22+
InChIKeyCPXJGNBQXOGFBX-XTCLZLMSSA-O
MW371.46 g/mol
LogP3.25
Rot. Bonds5

About [6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium

[6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium (PubChem CID 1193926) has the molecular formula C24H23N2O2+ and a molecular weight of 371.46 g/mol. Its IUPAC name is [6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium.

Molecular Properties

Compound Name[6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium
PubChem CID1193926
Molecular FormulaC24H23N2O2+
Molecular Weight371.46 g/mol
Exact Mass371.18
IUPAC Name[6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium
SMILESCCc1ccc2oc(-c3ccc(OC)cc3)c/c(=[NH+]\Cc3cccnc3)c2c1
InChIInChI=1S/C24H22N2O2/c1-3-17-6-11-23-21(13-17)22(26-16-18-5-4-12-25-15-18)14-24(28-23)19-7-9-20(27-2)10-8-19/h4-15H,3,16H2,1-2H3/p+1/b26-22+
InChIKeyCPXJGNBQXOGFBX-XTCLZLMSSA-O
XLogP3.25
TPSA49.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate
CID 20998275
[2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium tetrafluoroborate
CID 23411909
[6-methyl-2-(4-methylphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate
CID 20998139
[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate
CID 20998201
(3-chlorophenyl)-[6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate
CID 20997947
(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-[6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]azanium
CID 4112140
[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]-(2-phenylethyl)azanium
CID 1181688
benzyl-[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]azanium perchlorate
CID 20999004
2-(4-methoxyphenyl)pyrano[2,3-c]pyridin-4-one
CID 53487406
7-methoxy-2-(pyridin-3-ylmethyl)chromen-4-one
CID 127027266
(2,3-dimethylphenyl)-[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]azanium
CID 3557993
2-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 63264861

Frequently Asked Questions

What is the IUPAC name of [6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium?
The IUPAC name of [6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium (CID 1193926) is [6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium.
What is the SMILES notation for [6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium?
The canonical SMILES for [6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium is CCc1ccc2oc(-c3ccc(OC)cc3)c/c(=[NH+]\Cc3cccnc3)c2c1.
What is the InChIKey of [6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium?
The InChIKey is CPXJGNBQXOGFBX-XTCLZLMSSA-O. The full InChI is InChI=1S/C24H22N2O2/c1-3-17-6-11-23-21(13-17)22(26-16-18-5-4-12-25-15-18)14-24(28-23)19-7-9-20(27-2)10-8-19/h4-15H,3,16H2,1-2H3/p+1/b26-22+.
What are the key properties of [6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium?
[6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium has a molecular weight of 371.46 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium is sourced from PubChem (CID 1193926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).