6-(5-chloro-2-hydroxybenzoyl)-1-(2-methoxyethyl)pyrido[2,3-d]pyrimidine-2,4-dione

C17H14ClN3O5 — CID 2537623

IUPAC6-(5-chloro-2-hydroxybenzoyl)-1-(2-methoxyethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOCCn1c(=O)[nH]c(=O)c2cc(C(=O)c3cc(Cl)ccc3O)cnc21
InChIInChI=1S/C17H14ClN3O5/c1-26-5-4-21-15-12(16(24)20-17(21)25)6-9(8-19-15)14(23)11-7-10(18)2-3-13(11)22/h2-3,6-8,22H,4-5H2,1H3,(H,20,24,25)
InChIKeyCXPJMSNEIJNISY-UHFFFAOYSA-N
MW375.77 g/mol
LogP1.32
Rot. Bonds5

About 6-(5-chloro-2-hydroxybenzoyl)-1-(2-methoxyethyl)pyrido[2,3-d]pyrimidine-2,4-dione

6-(5-chloro-2-hydroxybenzoyl)-1-(2-methoxyethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 2537623) has the molecular formula C17H14ClN3O5 and a molecular weight of 375.77 g/mol. Its IUPAC name is 6-(5-chloro-2-hydroxybenzoyl)-1-(2-methoxyethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(5-chloro-2-hydroxybenzoyl)-1-(2-methoxyethyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID2537623
Molecular FormulaC17H14ClN3O5
Molecular Weight375.77 g/mol
Exact Mass375.06
IUPAC Name6-(5-chloro-2-hydroxybenzoyl)-1-(2-methoxyethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOCCn1c(=O)[nH]c(=O)c2cc(C(=O)c3cc(Cl)ccc3O)cnc21
InChIInChI=1S/C17H14ClN3O5/c1-26-5-4-21-15-12(16(24)20-17(21)25)6-9(8-19-15)14(23)11-7-10(18)2-3-13(11)22/h2-3,6-8,22H,4-5H2,1H3,(H,20,24,25)
InChIKeyCXPJMSNEIJNISY-UHFFFAOYSA-N
XLogP1.32
TPSA114.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.77
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(5-chloro-2-hydroxybenzoyl)-1-(2-methoxyethyl)pyrido[2,3-d]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-hydroxybenzoyl)-1-(2-methoxyethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(5-chloro-2-hydroxybenzoyl)-1-(2-methoxyethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 2537623) is 6-(5-chloro-2-hydroxybenzoyl)-1-(2-methoxyethyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(5-chloro-2-hydroxybenzoyl)-1-(2-methoxyethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(5-chloro-2-hydroxybenzoyl)-1-(2-methoxyethyl)pyrido[2,3-d]pyrimidine-2,4-dione is COCCn1c(=O)[nH]c(=O)c2cc(C(=O)c3cc(Cl)ccc3O)cnc21.
What is the InChIKey of 6-(5-chloro-2-hydroxybenzoyl)-1-(2-methoxyethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is CXPJMSNEIJNISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O5/c1-26-5-4-21-15-12(16(24)20-17(21)25)6-9(8-19-15)14(23)11-7-10(18)2-3-13(11)22/h2-3,6-8,22H,4-5H2,1H3,(H,20,24,25).
What are the key properties of 6-(5-chloro-2-hydroxybenzoyl)-1-(2-methoxyethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
6-(5-chloro-2-hydroxybenzoyl)-1-(2-methoxyethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 375.77 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-hydroxybenzoyl)-1-(2-methoxyethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 2537623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).