2-(4-hydroxyphenyl)-7-methyl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one

C18H14N2O3 — CID 162654277

IUPAC2-(4-hydroxyphenyl)-7-methyl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one
SMILESCc1ccc2c(c1)C=C1C(=O)NC(c3ccc(O)cc3)=NC1O2
InChIInChI=1S/C18H14N2O3/c1-10-2-7-15-12(8-10)9-14-17(22)19-16(20-18(14)23-15)11-3-5-13(21)6-4-11/h2-9,18,21H,1H3,(H,19,20,22)
InChIKeyZKLQGKFMQLRRKP-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.38
Rot. Bonds1

About 2-(4-hydroxyphenyl)-7-methyl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one

2-(4-hydroxyphenyl)-7-methyl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one (PubChem CID 162654277) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-7-methyl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-7-methyl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one
PubChem CID162654277
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name2-(4-hydroxyphenyl)-7-methyl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one
SMILESCc1ccc2c(c1)C=C1C(=O)NC(c3ccc(O)cc3)=NC1O2
InChIInChI=1S/C18H14N2O3/c1-10-2-7-15-12(8-10)9-14-17(22)19-16(20-18(14)23-15)11-3-5-13(21)6-4-11/h2-9,18,21H,1H3,(H,19,20,22)
InChIKeyZKLQGKFMQLRRKP-UHFFFAOYSA-N
XLogP2.38
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-7-methyl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(4-hydroxyphenyl)-7-methyl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one (CID 162654277) is 2-(4-hydroxyphenyl)-7-methyl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-hydroxyphenyl)-7-methyl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-hydroxyphenyl)-7-methyl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one is Cc1ccc2c(c1)C=C1C(=O)NC(c3ccc(O)cc3)=NC1O2.
What is the InChIKey of 2-(4-hydroxyphenyl)-7-methyl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one?
The InChIKey is ZKLQGKFMQLRRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-10-2-7-15-12(8-10)9-14-17(22)19-16(20-18(14)23-15)11-3-5-13(21)6-4-11/h2-9,18,21H,1H3,(H,19,20,22).
What are the key properties of 2-(4-hydroxyphenyl)-7-methyl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one?
2-(4-hydroxyphenyl)-7-methyl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one has a molecular weight of 306.32 g/mol, XLogP of 2.38, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-7-methyl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 162654277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).