8-(1-anilinoethyl)-6-methyl-2-pyridin-4-ylchromen-4-one

C23H20N2O2 — CID 16757576

IUPAC8-(1-anilinoethyl)-6-methyl-2-pyridin-4-ylchromen-4-one
SMILESCc1cc(C(C)Nc2ccccc2)c2oc(-c3ccncc3)cc(=O)c2c1
InChIInChI=1S/C23H20N2O2/c1-15-12-19(16(2)25-18-6-4-3-5-7-18)23-20(13-15)21(26)14-22(27-23)17-8-10-24-11-9-17/h3-14,16,25H,1-2H3
InChIKeyBWCHMAXKQWYVNL-UHFFFAOYSA-N
MW356.43 g/mol
LogP5.34
Rot. Bonds4

About 8-(1-anilinoethyl)-6-methyl-2-pyridin-4-ylchromen-4-one

8-(1-anilinoethyl)-6-methyl-2-pyridin-4-ylchromen-4-one (PubChem CID 16757576) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 8-(1-anilinoethyl)-6-methyl-2-pyridin-4-ylchromen-4-one.

Molecular Properties

Compound Name8-(1-anilinoethyl)-6-methyl-2-pyridin-4-ylchromen-4-one
PubChem CID16757576
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name8-(1-anilinoethyl)-6-methyl-2-pyridin-4-ylchromen-4-one
SMILESCc1cc(C(C)Nc2ccccc2)c2oc(-c3ccncc3)cc(=O)c2c1
InChIInChI=1S/C23H20N2O2/c1-15-12-19(16(2)25-18-6-4-3-5-7-18)23-20(13-15)21(26)14-22(27-23)17-8-10-24-11-9-17/h3-14,16,25H,1-2H3
InChIKeyBWCHMAXKQWYVNL-UHFFFAOYSA-N
XLogP5.34
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(1-anilinoethyl)-6-methyl-2-pyridin-4-ylchromen-4-one?
The IUPAC name of 8-(1-anilinoethyl)-6-methyl-2-pyridin-4-ylchromen-4-one (CID 16757576) is 8-(1-anilinoethyl)-6-methyl-2-pyridin-4-ylchromen-4-one.
What is the SMILES notation for 8-(1-anilinoethyl)-6-methyl-2-pyridin-4-ylchromen-4-one?
The canonical SMILES for 8-(1-anilinoethyl)-6-methyl-2-pyridin-4-ylchromen-4-one is Cc1cc(C(C)Nc2ccccc2)c2oc(-c3ccncc3)cc(=O)c2c1.
What is the InChIKey of 8-(1-anilinoethyl)-6-methyl-2-pyridin-4-ylchromen-4-one?
The InChIKey is BWCHMAXKQWYVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-15-12-19(16(2)25-18-6-4-3-5-7-18)23-20(13-15)21(26)14-22(27-23)17-8-10-24-11-9-17/h3-14,16,25H,1-2H3.
What are the key properties of 8-(1-anilinoethyl)-6-methyl-2-pyridin-4-ylchromen-4-one?
8-(1-anilinoethyl)-6-methyl-2-pyridin-4-ylchromen-4-one has a molecular weight of 356.43 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-anilinoethyl)-6-methyl-2-pyridin-4-ylchromen-4-one is sourced from PubChem (CID 16757576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).