5,7-dimethoxy-3-(6-methoxy-3-pyridinyl)quinazolin-4-one

C16H15N3O4 — CID 59116477

IUPAC5,7-dimethoxy-3-(6-methoxy-3-pyridinyl)quinazolin-4-one
SMILESCOc1cc(OC)c2c(=O)n(-c3ccc(OC)nc3)cnc2c1
InChIInChI=1S/C16H15N3O4/c1-21-11-6-12-15(13(7-11)22-2)16(20)19(9-18-12)10-4-5-14(23-3)17-8-10/h4-9H,1-3H3
InChIKeyHMKLXIFHNHWGGH-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.81
Rot. Bonds4

About 5,7-dimethoxy-3-(6-methoxy-3-pyridinyl)quinazolin-4-one

5,7-dimethoxy-3-(6-methoxy-3-pyridinyl)quinazolin-4-one (PubChem CID 59116477) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 5,7-dimethoxy-3-(6-methoxy-3-pyridinyl)quinazolin-4-one.

Molecular Properties

Compound Name5,7-dimethoxy-3-(6-methoxy-3-pyridinyl)quinazolin-4-one
PubChem CID59116477
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name5,7-dimethoxy-3-(6-methoxy-3-pyridinyl)quinazolin-4-one
SMILESCOc1cc(OC)c2c(=O)n(-c3ccc(OC)nc3)cnc2c1
InChIInChI=1S/C16H15N3O4/c1-21-11-6-12-15(13(7-11)22-2)16(20)19(9-18-12)10-4-5-14(23-3)17-8-10/h4-9H,1-3H3
InChIKeyHMKLXIFHNHWGGH-UHFFFAOYSA-N
XLogP1.81
TPSA75.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-3-(6-methoxy-3-pyridinyl)quinazolin-4-one?
The IUPAC name of 5,7-dimethoxy-3-(6-methoxy-3-pyridinyl)quinazolin-4-one (CID 59116477) is 5,7-dimethoxy-3-(6-methoxy-3-pyridinyl)quinazolin-4-one.
What is the SMILES notation for 5,7-dimethoxy-3-(6-methoxy-3-pyridinyl)quinazolin-4-one?
The canonical SMILES for 5,7-dimethoxy-3-(6-methoxy-3-pyridinyl)quinazolin-4-one is COc1cc(OC)c2c(=O)n(-c3ccc(OC)nc3)cnc2c1.
What is the InChIKey of 5,7-dimethoxy-3-(6-methoxy-3-pyridinyl)quinazolin-4-one?
The InChIKey is HMKLXIFHNHWGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-21-11-6-12-15(13(7-11)22-2)16(20)19(9-18-12)10-4-5-14(23-3)17-8-10/h4-9H,1-3H3.
What are the key properties of 5,7-dimethoxy-3-(6-methoxy-3-pyridinyl)quinazolin-4-one?
5,7-dimethoxy-3-(6-methoxy-3-pyridinyl)quinazolin-4-one has a molecular weight of 313.31 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-3-(6-methoxy-3-pyridinyl)quinazolin-4-one is sourced from PubChem (CID 59116477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).