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

C18H13ClN2O3 — CID 22515985

IUPAC2-(3-chlorophenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
SMILESCOc1cccc2c1Oc1nc(-c3cccc(Cl)c3)[nH]c(=O)c1C2
InChIInChI=1S/C18H13ClN2O3/c1-23-14-7-3-4-10-9-13-17(22)20-16(21-18(13)24-15(10)14)11-5-2-6-12(19)8-11/h2-8H,9H2,1H3,(H,20,21,22)
InChIKeyDBMJFXXXDPWBCB-UHFFFAOYSA-N
MW340.77 g/mol
LogP3.80
Rot. Bonds2

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

2-(3-chlorophenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one (PubChem CID 22515985) has the molecular formula C18H13ClN2O3 and a molecular weight of 340.77 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
PubChem CID22515985
Molecular FormulaC18H13ClN2O3
Molecular Weight340.77 g/mol
Exact Mass340.06
IUPAC Name2-(3-chlorophenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
SMILESCOc1cccc2c1Oc1nc(-c3cccc(Cl)c3)[nH]c(=O)c1C2
InChIInChI=1S/C18H13ClN2O3/c1-23-14-7-3-4-10-9-13-17(22)20-16(21-18(13)24-15(10)14)11-5-2-6-12(19)8-11/h2-8H,9H2,1H3,(H,20,21,22)
InChIKeyDBMJFXXXDPWBCB-UHFFFAOYSA-N
XLogP3.80
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(3-chlorophenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one (CID 22515985) is 2-(3-chlorophenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(3-chlorophenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(3-chlorophenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one is COc1cccc2c1Oc1nc(-c3cccc(Cl)c3)[nH]c(=O)c1C2.
What is the InChIKey of 2-(3-chlorophenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
The InChIKey is DBMJFXXXDPWBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O3/c1-23-14-7-3-4-10-9-13-17(22)20-16(21-18(13)24-15(10)14)11-5-2-6-12(19)8-11/h2-8H,9H2,1H3,(H,20,21,22).
What are the key properties of 2-(3-chlorophenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
2-(3-chlorophenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one has a molecular weight of 340.77 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 22515985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).