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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Related Compounds

2-Pyridin-3-yl-benzo[h]chromen-4-one
CID 323484
4-[4-[2-[[(2R)-2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]phenyl]-2-propan-2-yloxybenzoic acid
CID 24895261
4-(2-{[(2R)-2-(6-Amino-3-pyridinyl)-2-hydroxyethyl]amino}ethyl)-3-(cyclohexyloxy)-4-biphenylcarboxylic acid
CID 24895263
6,7,10-Trimethoxy-2-pyridin-2-ylbenzo[h]chromen-4-one
CID 162655045
2-(5-Fluoro-2-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one
CID 162650115
2-(5-Fluoro-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one
CID 162658116
2-(2-Bromo-4-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one
CID 162664371
6,7,10-Trimethoxy-2-pyridin-3-ylbenzo[h]chromen-4-one
CID 162664846
2-(2-Fluoro-4-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one
CID 162677281
(3-Methoxynaphthalen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 9325257
3-methoxy-N-(4-methyl-2-pyridyl)-2-naphthamide
CID 16391032
3-methoxy-N-(5-methyl-2-pyridinyl)-2-naphthalenecarboxamide
CID 16391033

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).