9-methoxy-2-(3-methoxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one

C19H16N2O4 — CID 7120018

IUPAC9-methoxy-2-(3-methoxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
SMILESCOc1cccc(-c2nc3c(c(=O)[nH]2)Cc2cccc(OC)c2O3)c1
InChIInChI=1S/C19H16N2O4/c1-23-13-7-3-6-12(9-13)17-20-18(22)14-10-11-5-4-8-15(24-2)16(11)25-19(14)21-17/h3-9H,10H2,1-2H3,(H,20,21,22)
InChIKeyMCAKZVZTQFTYIV-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.15
Rot. Bonds3

About 9-methoxy-2-(3-methoxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one

9-methoxy-2-(3-methoxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one (PubChem CID 7120018) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 9-methoxy-2-(3-methoxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name9-methoxy-2-(3-methoxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
PubChem CID7120018
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name9-methoxy-2-(3-methoxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
SMILESCOc1cccc(-c2nc3c(c(=O)[nH]2)Cc2cccc(OC)c2O3)c1
InChIInChI=1S/C19H16N2O4/c1-23-13-7-3-6-12(9-13)17-20-18(22)14-10-11-5-4-8-15(24-2)16(11)25-19(14)21-17/h3-9H,10H2,1-2H3,(H,20,21,22)
InChIKeyMCAKZVZTQFTYIV-UHFFFAOYSA-N
XLogP3.15
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-2-(3-methoxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
The IUPAC name of 9-methoxy-2-(3-methoxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one (CID 7120018) is 9-methoxy-2-(3-methoxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 9-methoxy-2-(3-methoxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 9-methoxy-2-(3-methoxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one is COc1cccc(-c2nc3c(c(=O)[nH]2)Cc2cccc(OC)c2O3)c1.
What is the InChIKey of 9-methoxy-2-(3-methoxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
The InChIKey is MCAKZVZTQFTYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-23-13-7-3-6-12(9-13)17-20-18(22)14-10-11-5-4-8-15(24-2)16(11)25-19(14)21-17/h3-9H,10H2,1-2H3,(H,20,21,22).
What are the key properties of 9-methoxy-2-(3-methoxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
9-methoxy-2-(3-methoxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one has a molecular weight of 336.35 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-2-(3-methoxyphenyl)-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 7120018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).