6-(2-iminoethylamino)-2-(6-methoxy-3-pyridinyl)-3-phenylmethoxychromen-4-one

C24H21N3O4 — CID 87190114

IUPAC6-(2-iminoethylamino)-2-(6-methoxy-3-pyridinyl)-3-phenylmethoxychromen-4-one
SMILES[H]/N=C/CNc1ccc2oc(-c3ccc(OC)nc3)c(OCc3ccccc3)c(=O)c2c1
InChIInChI=1S/C24H21N3O4/c1-29-21-10-7-17(14-27-21)23-24(30-15-16-5-3-2-4-6-16)22(28)19-13-18(26-12-11-25)8-9-20(19)31-23/h2-11,13-14,25-26H,12,15H2,1H3/b25-11+
InChIKeyMYIAEIIRWXZVND-OPEKNORGSA-N
MW415.45 g/mol
LogP4.50
Rot. Bonds8

About 6-(2-iminoethylamino)-2-(6-methoxy-3-pyridinyl)-3-phenylmethoxychromen-4-one

6-(2-iminoethylamino)-2-(6-methoxy-3-pyridinyl)-3-phenylmethoxychromen-4-one (PubChem CID 87190114) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is 6-(2-iminoethylamino)-2-(6-methoxy-3-pyridinyl)-3-phenylmethoxychromen-4-one.

Molecular Properties

Compound Name6-(2-iminoethylamino)-2-(6-methoxy-3-pyridinyl)-3-phenylmethoxychromen-4-one
PubChem CID87190114
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC Name6-(2-iminoethylamino)-2-(6-methoxy-3-pyridinyl)-3-phenylmethoxychromen-4-one
SMILES[H]/N=C/CNc1ccc2oc(-c3ccc(OC)nc3)c(OCc3ccccc3)c(=O)c2c1
InChIInChI=1S/C24H21N3O4/c1-29-21-10-7-17(14-27-21)23-24(30-15-16-5-3-2-4-6-16)22(28)19-13-18(26-12-11-25)8-9-20(19)31-23/h2-11,13-14,25-26H,12,15H2,1H3/b25-11+
InChIKeyMYIAEIIRWXZVND-OPEKNORGSA-N
XLogP4.50
TPSA97.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-iminoethylamino)-2-(6-methoxy-3-pyridinyl)-3-phenylmethoxychromen-4-one?
The IUPAC name of 6-(2-iminoethylamino)-2-(6-methoxy-3-pyridinyl)-3-phenylmethoxychromen-4-one (CID 87190114) is 6-(2-iminoethylamino)-2-(6-methoxy-3-pyridinyl)-3-phenylmethoxychromen-4-one.
What is the SMILES notation for 6-(2-iminoethylamino)-2-(6-methoxy-3-pyridinyl)-3-phenylmethoxychromen-4-one?
The canonical SMILES for 6-(2-iminoethylamino)-2-(6-methoxy-3-pyridinyl)-3-phenylmethoxychromen-4-one is [H]/N=C/CNc1ccc2oc(-c3ccc(OC)nc3)c(OCc3ccccc3)c(=O)c2c1.
What is the InChIKey of 6-(2-iminoethylamino)-2-(6-methoxy-3-pyridinyl)-3-phenylmethoxychromen-4-one?
The InChIKey is MYIAEIIRWXZVND-OPEKNORGSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-29-21-10-7-17(14-27-21)23-24(30-15-16-5-3-2-4-6-16)22(28)19-13-18(26-12-11-25)8-9-20(19)31-23/h2-11,13-14,25-26H,12,15H2,1H3/b25-11+.
What are the key properties of 6-(2-iminoethylamino)-2-(6-methoxy-3-pyridinyl)-3-phenylmethoxychromen-4-one?
6-(2-iminoethylamino)-2-(6-methoxy-3-pyridinyl)-3-phenylmethoxychromen-4-one has a molecular weight of 415.45 g/mol, XLogP of 4.50, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-iminoethylamino)-2-(6-methoxy-3-pyridinyl)-3-phenylmethoxychromen-4-one is sourced from PubChem (CID 87190114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).