2-(4-methoxyphenyl)-N-pyrrol-1-ylchromen-4-imine

C20H16N2O2 — CID 2325646

IUPAC2-(4-methoxyphenyl)-N-pyrrol-1-ylchromen-4-imine
SMILESCOc1ccc(-c2cc(=Nn3cccc3)c3ccccc3o2)cc1
InChIInChI=1S/C20H16N2O2/c1-23-16-10-8-15(9-11-16)20-14-18(21-22-12-4-5-13-22)17-6-2-3-7-19(17)24-20/h2-14H,1H3
InChIKeyKDMUJKRRURKDFF-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.27
Rot. Bonds3

About 2-(4-methoxyphenyl)-N-pyrrol-1-ylchromen-4-imine

2-(4-methoxyphenyl)-N-pyrrol-1-ylchromen-4-imine (PubChem CID 2325646) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-pyrrol-1-ylchromen-4-imine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-pyrrol-1-ylchromen-4-imine
PubChem CID2325646
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name2-(4-methoxyphenyl)-N-pyrrol-1-ylchromen-4-imine
SMILESCOc1ccc(-c2cc(=Nn3cccc3)c3ccccc3o2)cc1
InChIInChI=1S/C20H16N2O2/c1-23-16-10-8-15(9-11-16)20-14-18(21-22-12-4-5-13-22)17-6-2-3-7-19(17)24-20/h2-14H,1H3
InChIKeyKDMUJKRRURKDFF-UHFFFAOYSA-N
XLogP4.27
TPSA39.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 10727834
2-[4-(4-methoxyphenyl)phenyl]-1-benzofuran
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2-(4-methoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)chromen-4-imine
CID 2008026
2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)chromen-4-imine
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2-(1,3-benzodioxol-5-yl)-N-(3,5-dimethoxyphenyl)chromen-4-imine
CID 1414369
3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1-benzofuran
CID 71608239
[2-(4-methoxyphenyl)-1-benzofuran-4-yl] naphthalene-1-carboxylate
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N-[(Z)-[2-(4-methoxyphenyl)-6,7-dimethylchromen-4-ylidene]amino]aniline
CID 7730775
1-[2-(4-methoxyphenyl)chromen-4-ylidene]piperidin-1-ium perchlorate
CID 86247105
2-(4-methoxyphenyl)-5-phenyl-1-benzofuran
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2-(4-methoxyphenyl)-1-benzofuran-3-carbaldehyde
CID 12550686

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-pyrrol-1-ylchromen-4-imine?
The IUPAC name of 2-(4-methoxyphenyl)-N-pyrrol-1-ylchromen-4-imine (CID 2325646) is 2-(4-methoxyphenyl)-N-pyrrol-1-ylchromen-4-imine.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-pyrrol-1-ylchromen-4-imine?
The canonical SMILES for 2-(4-methoxyphenyl)-N-pyrrol-1-ylchromen-4-imine is COc1ccc(-c2cc(=Nn3cccc3)c3ccccc3o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-pyrrol-1-ylchromen-4-imine?
The InChIKey is KDMUJKRRURKDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-23-16-10-8-15(9-11-16)20-14-18(21-22-12-4-5-13-22)17-6-2-3-7-19(17)24-20/h2-14H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-N-pyrrol-1-ylchromen-4-imine?
2-(4-methoxyphenyl)-N-pyrrol-1-ylchromen-4-imine has a molecular weight of 316.36 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-pyrrol-1-ylchromen-4-imine is sourced from PubChem (CID 2325646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).