7-(3,4-dimethoxyphenyl)-3-methyl-5-[(5-methylfuran-2-yl)methylamino]pyrido[4,3-d]pyrimidin-4-one

C22H22N4O4 — CID 58092941

IUPAC7-(3,4-dimethoxyphenyl)-3-methyl-5-[(5-methylfuran-2-yl)methylamino]pyrido[4,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2cc3ncn(C)c(=O)c3c(NCc3ccc(C)o3)n2)cc1OC
InChIInChI=1S/C22H22N4O4/c1-13-5-7-15(30-13)11-23-21-20-17(24-12-26(2)22(20)27)10-16(25-21)14-6-8-18(28-3)19(9-14)29-4/h5-10,12H,11H2,1-4H3,(H,23,25)
InChIKeyZVUHPSIVARZCBZ-UHFFFAOYSA-N
MW406.44 g/mol
LogP3.53
Rot. Bonds6

About 7-(3,4-dimethoxyphenyl)-3-methyl-5-[(5-methylfuran-2-yl)methylamino]pyrido[4,3-d]pyrimidin-4-one

7-(3,4-dimethoxyphenyl)-3-methyl-5-[(5-methylfuran-2-yl)methylamino]pyrido[4,3-d]pyrimidin-4-one (PubChem CID 58092941) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)-3-methyl-5-[(5-methylfuran-2-yl)methylamino]pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(3,4-dimethoxyphenyl)-3-methyl-5-[(5-methylfuran-2-yl)methylamino]pyrido[4,3-d]pyrimidin-4-one
PubChem CID58092941
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name7-(3,4-dimethoxyphenyl)-3-methyl-5-[(5-methylfuran-2-yl)methylamino]pyrido[4,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2cc3ncn(C)c(=O)c3c(NCc3ccc(C)o3)n2)cc1OC
InChIInChI=1S/C22H22N4O4/c1-13-5-7-15(30-13)11-23-21-20-17(24-12-26(2)22(20)27)10-16(25-21)14-6-8-18(28-3)19(9-14)29-4/h5-10,12H,11H2,1-4H3,(H,23,25)
InChIKeyZVUHPSIVARZCBZ-UHFFFAOYSA-N
XLogP3.53
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethoxyphenyl)-3-methyl-5-[(5-methylfuran-2-yl)methylamino]pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 7-(3,4-dimethoxyphenyl)-3-methyl-5-[(5-methylfuran-2-yl)methylamino]pyrido[4,3-d]pyrimidin-4-one (CID 58092941) is 7-(3,4-dimethoxyphenyl)-3-methyl-5-[(5-methylfuran-2-yl)methylamino]pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-(3,4-dimethoxyphenyl)-3-methyl-5-[(5-methylfuran-2-yl)methylamino]pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 7-(3,4-dimethoxyphenyl)-3-methyl-5-[(5-methylfuran-2-yl)methylamino]pyrido[4,3-d]pyrimidin-4-one is COc1ccc(-c2cc3ncn(C)c(=O)c3c(NCc3ccc(C)o3)n2)cc1OC.
What is the InChIKey of 7-(3,4-dimethoxyphenyl)-3-methyl-5-[(5-methylfuran-2-yl)methylamino]pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is ZVUHPSIVARZCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-13-5-7-15(30-13)11-23-21-20-17(24-12-26(2)22(20)27)10-16(25-21)14-6-8-18(28-3)19(9-14)29-4/h5-10,12H,11H2,1-4H3,(H,23,25).
What are the key properties of 7-(3,4-dimethoxyphenyl)-3-methyl-5-[(5-methylfuran-2-yl)methylamino]pyrido[4,3-d]pyrimidin-4-one?
7-(3,4-dimethoxyphenyl)-3-methyl-5-[(5-methylfuran-2-yl)methylamino]pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 406.44 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxyphenyl)-3-methyl-5-[(5-methylfuran-2-yl)methylamino]pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 58092941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).