8-chloro-7-methylchromeno[2,3-d]pyrimidine-2,4-dione

C12H7ClN2O3 — CID 23457503

IUPAC8-chloro-7-methylchromeno[2,3-d]pyrimidine-2,4-dione
SMILESCc1cc2cc3c(=O)[nH]c(=O)nc-3oc2cc1Cl
InChIInChI=1S/C12H7ClN2O3/c1-5-2-6-3-7-10(16)14-12(17)15-11(7)18-9(6)4-8(5)13/h2-4H,1H3,(H,14,16,17)
InChIKeyGUXTTYLLHPSABW-UHFFFAOYSA-N
MW262.65 g/mol
LogP1.94
Rot. Bonds

About 8-chloro-7-methylchromeno[2,3-d]pyrimidine-2,4-dione

8-chloro-7-methylchromeno[2,3-d]pyrimidine-2,4-dione (PubChem CID 23457503) has the molecular formula C12H7ClN2O3 and a molecular weight of 262.65 g/mol. Its IUPAC name is 8-chloro-7-methylchromeno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name8-chloro-7-methylchromeno[2,3-d]pyrimidine-2,4-dione
PubChem CID23457503
Molecular FormulaC12H7ClN2O3
Molecular Weight262.65 g/mol
Exact Mass262.01
IUPAC Name8-chloro-7-methylchromeno[2,3-d]pyrimidine-2,4-dione
SMILESCc1cc2cc3c(=O)[nH]c(=O)nc-3oc2cc1Cl
InChIInChI=1S/C12H7ClN2O3/c1-5-2-6-3-7-10(16)14-12(17)15-11(7)18-9(6)4-8(5)13/h2-4H,1H3,(H,14,16,17)
InChIKeyGUXTTYLLHPSABW-UHFFFAOYSA-N
XLogP1.94
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.65
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-methylchromeno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 8-chloro-7-methylchromeno[2,3-d]pyrimidine-2,4-dione (CID 23457503) is 8-chloro-7-methylchromeno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 8-chloro-7-methylchromeno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 8-chloro-7-methylchromeno[2,3-d]pyrimidine-2,4-dione is Cc1cc2cc3c(=O)[nH]c(=O)nc-3oc2cc1Cl.
What is the InChIKey of 8-chloro-7-methylchromeno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is GUXTTYLLHPSABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O3/c1-5-2-6-3-7-10(16)14-12(17)15-11(7)18-9(6)4-8(5)13/h2-4H,1H3,(H,14,16,17).
What are the key properties of 8-chloro-7-methylchromeno[2,3-d]pyrimidine-2,4-dione?
8-chloro-7-methylchromeno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 262.65 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-methylchromeno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 23457503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).