7-(3,4-dimethoxybenzoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C20H24N4O4 — CID 136707031

IUPAC7-(3,4-dimethoxybenzoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCOc1ccc(C(=O)N2CCc3c(nc(N4CCCC4)[nH]c3=O)C2)cc1OC
InChIInChI=1S/C20H24N4O4/c1-27-16-6-5-13(11-17(16)28-2)19(26)24-10-7-14-15(12-24)21-20(22-18(14)25)23-8-3-4-9-23/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,21,22,25)
InChIKeyHEDUDNHYYMDBEM-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.59
Rot. Bonds4

About 7-(3,4-dimethoxybenzoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-(3,4-dimethoxybenzoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136707031) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 7-(3,4-dimethoxybenzoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(3,4-dimethoxybenzoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136707031
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name7-(3,4-dimethoxybenzoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCOc1ccc(C(=O)N2CCc3c(nc(N4CCCC4)[nH]c3=O)C2)cc1OC
InChIInChI=1S/C20H24N4O4/c1-27-16-6-5-13(11-17(16)28-2)19(26)24-10-7-14-15(12-24)21-20(22-18(14)25)23-8-3-4-9-23/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,21,22,25)
InChIKeyHEDUDNHYYMDBEM-UHFFFAOYSA-N
XLogP1.59
TPSA87.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethoxybenzoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-(3,4-dimethoxybenzoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136707031) is 7-(3,4-dimethoxybenzoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-(3,4-dimethoxybenzoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-(3,4-dimethoxybenzoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is COc1ccc(C(=O)N2CCc3c(nc(N4CCCC4)[nH]c3=O)C2)cc1OC.
What is the InChIKey of 7-(3,4-dimethoxybenzoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is HEDUDNHYYMDBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-27-16-6-5-13(11-17(16)28-2)19(26)24-10-7-14-15(12-24)21-20(22-18(14)25)23-8-3-4-9-23/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,21,22,25).
What are the key properties of 7-(3,4-dimethoxybenzoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-(3,4-dimethoxybenzoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 384.44 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxybenzoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136707031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).