6,7,10-trimethoxy-2-pyridin-3-ylbenzo[h]chromen-4-one

C21H17NO5 — CID 162664846

IUPAC6,7,10-trimethoxy-2-pyridin-3-ylbenzo[h]chromen-4-one
SMILESCOc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cccnc3)oc12
InChIInChI=1S/C21H17NO5/c1-24-15-6-7-16(25-2)20-19(15)18(26-3)9-13-14(23)10-17(27-21(13)20)12-5-4-8-22-11-12/h4-11H,1-3H3
InChIKeyLMALGKIXBMWJKE-UHFFFAOYSA-N
MW363.37 g/mol
LogP4.03
Rot. Bonds4

About 6,7,10-trimethoxy-2-pyridin-3-ylbenzo[h]chromen-4-one

6,7,10-trimethoxy-2-pyridin-3-ylbenzo[h]chromen-4-one (PubChem CID 162664846) has the molecular formula C21H17NO5 and a molecular weight of 363.37 g/mol. Its IUPAC name is 6,7,10-trimethoxy-2-pyridin-3-ylbenzo[h]chromen-4-one.

Molecular Properties

Compound Name6,7,10-trimethoxy-2-pyridin-3-ylbenzo[h]chromen-4-one
PubChem CID162664846
Molecular FormulaC21H17NO5
Molecular Weight363.37 g/mol
Exact Mass363.11
IUPAC Name6,7,10-trimethoxy-2-pyridin-3-ylbenzo[h]chromen-4-one
SMILESCOc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cccnc3)oc12
InChIInChI=1S/C21H17NO5/c1-24-15-6-7-16(25-2)20-19(15)18(26-3)9-13-14(23)10-17(27-21(13)20)12-5-4-8-22-11-12/h4-11H,1-3H3
InChIKeyLMALGKIXBMWJKE-UHFFFAOYSA-N
XLogP4.03
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 6,7,10-trimethoxy-2-pyridin-3-ylbenzo[h]chromen-4-one?
The IUPAC name of 6,7,10-trimethoxy-2-pyridin-3-ylbenzo[h]chromen-4-one (CID 162664846) is 6,7,10-trimethoxy-2-pyridin-3-ylbenzo[h]chromen-4-one.
What is the SMILES notation for 6,7,10-trimethoxy-2-pyridin-3-ylbenzo[h]chromen-4-one?
The canonical SMILES for 6,7,10-trimethoxy-2-pyridin-3-ylbenzo[h]chromen-4-one is COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cccnc3)oc12.
What is the InChIKey of 6,7,10-trimethoxy-2-pyridin-3-ylbenzo[h]chromen-4-one?
The InChIKey is LMALGKIXBMWJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO5/c1-24-15-6-7-16(25-2)20-19(15)18(26-3)9-13-14(23)10-17(27-21(13)20)12-5-4-8-22-11-12/h4-11H,1-3H3.
What are the key properties of 6,7,10-trimethoxy-2-pyridin-3-ylbenzo[h]chromen-4-one?
6,7,10-trimethoxy-2-pyridin-3-ylbenzo[h]chromen-4-one has a molecular weight of 363.37 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,10-trimethoxy-2-pyridin-3-ylbenzo[h]chromen-4-one is sourced from PubChem (CID 162664846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).