6-[(4-chlorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione

C22H17ClN4O4 — CID 135454265

IUPAC6-[(4-chlorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)c2c(O)c(/C=N/c3ccc(Cl)cc3)c(=O)n(-c3ccccc3)c2n(C)c1=O
InChIInChI=1S/C22H17ClN4O4/c1-25-19-17(21(30)26(2)22(25)31)18(28)16(12-24-14-10-8-13(23)9-11-14)20(29)27(19)15-6-4-3-5-7-15/h3-12,28H,1-2H3/b24-12+
InChIKeyMIGAKKXDHAFXJC-WYMPLXKRSA-N
MW436.86 g/mol
LogP2.50
Rot. Bonds3

About 6-[(4-chlorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione

6-[(4-chlorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 135454265) has the molecular formula C22H17ClN4O4 and a molecular weight of 436.86 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name6-[(4-chlorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID135454265
Molecular FormulaC22H17ClN4O4
Molecular Weight436.86 g/mol
Exact Mass436.09
IUPAC Name6-[(4-chlorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)c2c(O)c(/C=N/c3ccc(Cl)cc3)c(=O)n(-c3ccccc3)c2n(C)c1=O
InChIInChI=1S/C22H17ClN4O4/c1-25-19-17(21(30)26(2)22(25)31)18(28)16(12-24-14-10-8-13(23)9-11-14)20(29)27(19)15-6-4-3-5-7-15/h3-12,28H,1-2H3/b24-12+
InChIKeyMIGAKKXDHAFXJC-WYMPLXKRSA-N
XLogP2.50
TPSA98.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.86
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 6-[(4-chlorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione (CID 135454265) is 6-[(4-chlorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 6-[(4-chlorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 6-[(4-chlorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione is Cn1c(=O)c2c(O)c(/C=N/c3ccc(Cl)cc3)c(=O)n(-c3ccccc3)c2n(C)c1=O.
What is the InChIKey of 6-[(4-chlorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is MIGAKKXDHAFXJC-WYMPLXKRSA-N. The full InChI is InChI=1S/C22H17ClN4O4/c1-25-19-17(21(30)26(2)22(25)31)18(28)16(12-24-14-10-8-13(23)9-11-14)20(29)27(19)15-6-4-3-5-7-15/h3-12,28H,1-2H3/b24-12+.
What are the key properties of 6-[(4-chlorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
6-[(4-chlorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 436.86 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)iminomethyl]-5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 135454265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).