(1R)-2-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid

C16H15N3O5 — CID 129467362

About (1R)-2-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid

(1R)-2-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid (PubChem CID 129467362) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is (1R)-2-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid.

Molecular Properties

• Compound Name: (1R)-2-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
• PubChem CID: 129467362
• Molecular Formula: C16H15N3O5
• Molecular Weight: 329.31 g/mol
• Exact Mass: 329.10
• IUPAC Name: (1R)-2-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
• SMILES: Cn1c(=O)[nH]cc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)O)c1=O
• InChI: InChI=1S/C16H15N3O5/c1-18-13(20)11(8-17-16(18)24)14(21)19-7-6-9-4-2-3-5-10(9)12(19)15(22)23/h2-5,8,12H,6-7H2,1H3,(H,17,24)(H,22,23)/t12-/m1/s1
• InChIKey: YZBAWUWOOCYJMG-GFCCVEGCSA-N
• XLogP: -0.10
• TPSA: 112.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	329.31
LogP ≤ 5	-0.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid?

The IUPAC name of (1R)-2-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid (CID 129467362) is (1R)-2-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid.

What is the SMILES notation for (1R)-2-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid?

The canonical SMILES for (1R)-2-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid is Cn1c(=O)[nH]cc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)O)c1=O.

What is the InChIKey of (1R)-2-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid?

The InChIKey is YZBAWUWOOCYJMG-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H15N3O5/c1-18-13(20)11(8-17-16(18)24)14(21)19-7-6-9-4-2-3-5-10(9)12(19)15(22)23/h2-5,8,12H,6-7H2,1H3,(H,17,24)(H,22,23)/t12-/m1/s1.

What are the key properties of (1R)-2-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid?

(1R)-2-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid has a molecular weight of 329.31 g/mol, XLogP of -0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-2-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid is sourced from PubChem (CID 129467362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).