2-(4-methoxy-3-methylphenyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one

C15H17N3O2 — CID 136941533

IUPAC2-(4-methoxy-3-methylphenyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCOc1ccc(-c2nc3c(c(=O)[nH]2)CCNC3)cc1C
InChIInChI=1S/C15H17N3O2/c1-9-7-10(3-4-13(9)20-2)14-17-12-8-16-6-5-11(12)15(19)18-14/h3-4,7,16H,5-6,8H2,1-2H3,(H,17,18,19)
InChIKeyCQTFOMOERKBMCN-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.40
Rot. Bonds2

About 2-(4-methoxy-3-methylphenyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one

2-(4-methoxy-3-methylphenyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 136941533) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID136941533
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-(4-methoxy-3-methylphenyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCOc1ccc(-c2nc3c(c(=O)[nH]2)CCNC3)cc1C
InChIInChI=1S/C15H17N3O2/c1-9-7-10(3-4-13(9)20-2)14-17-12-8-16-6-5-11(12)15(19)18-14/h3-4,7,16H,5-6,8H2,1-2H3,(H,17,18,19)
InChIKeyCQTFOMOERKBMCN-UHFFFAOYSA-N
XLogP1.40
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one (CID 136941533) is 2-(4-methoxy-3-methylphenyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one is COc1ccc(-c2nc3c(c(=O)[nH]2)CCNC3)cc1C.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is CQTFOMOERKBMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-9-7-10(3-4-13(9)20-2)14-17-12-8-16-6-5-11(12)15(19)18-14/h3-4,7,16H,5-6,8H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(4-methoxy-3-methylphenyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
2-(4-methoxy-3-methylphenyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 271.32 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136941533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).