2-(6-amino-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one

C21H18N2O5 — CID 162649088

IUPAC2-(6-amino-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one
SMILESCOc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccc(N)nc3)oc12
InChIInChI=1S/C21H18N2O5/c1-25-14-5-6-15(26-2)20-19(14)17(27-3)8-12-13(24)9-16(28-21(12)20)11-4-7-18(22)23-10-11/h4-10H,1-3H3,(H2,22,23)
InChIKeyGPLYKMHWSQLSOG-UHFFFAOYSA-N
MW378.38 g/mol
LogP3.62
Rot. Bonds4

About 2-(6-amino-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one

2-(6-amino-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one (PubChem CID 162649088) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is 2-(6-amino-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one.

Molecular Properties

Compound Name2-(6-amino-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one
PubChem CID162649088
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC Name2-(6-amino-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one
SMILESCOc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccc(N)nc3)oc12
InChIInChI=1S/C21H18N2O5/c1-25-14-5-6-15(26-2)20-19(14)17(27-3)8-12-13(24)9-16(28-21(12)20)11-4-7-18(22)23-10-11/h4-10H,1-3H3,(H2,22,23)
InChIKeyGPLYKMHWSQLSOG-UHFFFAOYSA-N
XLogP3.62
TPSA96.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one?
The IUPAC name of 2-(6-amino-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one (CID 162649088) is 2-(6-amino-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one.
What is the SMILES notation for 2-(6-amino-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one?
The canonical SMILES for 2-(6-amino-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one is COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccc(N)nc3)oc12.
What is the InChIKey of 2-(6-amino-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one?
The InChIKey is GPLYKMHWSQLSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5/c1-25-14-5-6-15(26-2)20-19(14)17(27-3)8-12-13(24)9-16(28-21(12)20)11-4-7-18(22)23-10-11/h4-10H,1-3H3,(H2,22,23).
What are the key properties of 2-(6-amino-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one?
2-(6-amino-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one has a molecular weight of 378.38 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one is sourced from PubChem (CID 162649088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).