1-(2-methyl-6-propan-2-ylphenyl)-8H-pyrido[2,3-d]pyrimidine-2,4,5,7-tetrone

C17H17N3O4 — CID 175692223

IUPAC1-(2-methyl-6-propan-2-ylphenyl)-8H-pyrido[2,3-d]pyrimidine-2,4,5,7-tetrone
SMILESCc1cccc(C(C)C)c1-n1c2c(c(=O)[nH]c1=O)C(=O)CC(=O)N2
InChIInChI=1S/C17H17N3O4/c1-8(2)10-6-4-5-9(3)14(10)20-15-13(16(23)19-17(20)24)11(21)7-12(22)18-15/h4-6,8H,7H2,1-3H3,(H,18,22)(H,19,23,24)
InChIKeyQMZCHVFZNILOEW-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.48
Rot. Bonds2

About 1-(2-methyl-6-propan-2-ylphenyl)-8H-pyrido[2,3-d]pyrimidine-2,4,5,7-tetrone

1-(2-methyl-6-propan-2-ylphenyl)-8H-pyrido[2,3-d]pyrimidine-2,4,5,7-tetrone (PubChem CID 175692223) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 1-(2-methyl-6-propan-2-ylphenyl)-8H-pyrido[2,3-d]pyrimidine-2,4,5,7-tetrone.

Molecular Properties

Compound Name1-(2-methyl-6-propan-2-ylphenyl)-8H-pyrido[2,3-d]pyrimidine-2,4,5,7-tetrone
PubChem CID175692223
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name1-(2-methyl-6-propan-2-ylphenyl)-8H-pyrido[2,3-d]pyrimidine-2,4,5,7-tetrone
SMILESCc1cccc(C(C)C)c1-n1c2c(c(=O)[nH]c1=O)C(=O)CC(=O)N2
InChIInChI=1S/C17H17N3O4/c1-8(2)10-6-4-5-9(3)14(10)20-15-13(16(23)19-17(20)24)11(21)7-12(22)18-15/h4-6,8H,7H2,1-3H3,(H,18,22)(H,19,23,24)
InChIKeyQMZCHVFZNILOEW-UHFFFAOYSA-N
XLogP1.48
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-propan-2-ylphenyl)-8H-pyrido[2,3-d]pyrimidine-2,4,5,7-tetrone?
The IUPAC name of 1-(2-methyl-6-propan-2-ylphenyl)-8H-pyrido[2,3-d]pyrimidine-2,4,5,7-tetrone (CID 175692223) is 1-(2-methyl-6-propan-2-ylphenyl)-8H-pyrido[2,3-d]pyrimidine-2,4,5,7-tetrone.
What is the SMILES notation for 1-(2-methyl-6-propan-2-ylphenyl)-8H-pyrido[2,3-d]pyrimidine-2,4,5,7-tetrone?
The canonical SMILES for 1-(2-methyl-6-propan-2-ylphenyl)-8H-pyrido[2,3-d]pyrimidine-2,4,5,7-tetrone is Cc1cccc(C(C)C)c1-n1c2c(c(=O)[nH]c1=O)C(=O)CC(=O)N2.
What is the InChIKey of 1-(2-methyl-6-propan-2-ylphenyl)-8H-pyrido[2,3-d]pyrimidine-2,4,5,7-tetrone?
The InChIKey is QMZCHVFZNILOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-8(2)10-6-4-5-9(3)14(10)20-15-13(16(23)19-17(20)24)11(21)7-12(22)18-15/h4-6,8H,7H2,1-3H3,(H,18,22)(H,19,23,24).
What are the key properties of 1-(2-methyl-6-propan-2-ylphenyl)-8H-pyrido[2,3-d]pyrimidine-2,4,5,7-tetrone?
1-(2-methyl-6-propan-2-ylphenyl)-8H-pyrido[2,3-d]pyrimidine-2,4,5,7-tetrone has a molecular weight of 327.34 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-propan-2-ylphenyl)-8H-pyrido[2,3-d]pyrimidine-2,4,5,7-tetrone is sourced from PubChem (CID 175692223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).