10-(4-chloro-2-methylphenyl)-3-methylbenzo[g]pteridine-2,4-dione

C18H13ClN4O2 — CID 14016403

IUPAC10-(4-chloro-2-methylphenyl)-3-methylbenzo[g]pteridine-2,4-dione
SMILESCc1cc(Cl)ccc1-n1c2nc(=O)n(C)c(=O)c-2nc2ccccc21
InChIInChI=1S/C18H13ClN4O2/c1-10-9-11(19)7-8-13(10)23-14-6-4-3-5-12(14)20-15-16(23)21-18(25)22(2)17(15)24/h3-9H,1-2H3
InChIKeyXCXPLNYSLASYRV-UHFFFAOYSA-N
MW352.78 g/mol
LogP2.55
Rot. Bonds1

About 10-(4-chloro-2-methylphenyl)-3-methylbenzo[g]pteridine-2,4-dione

10-(4-chloro-2-methylphenyl)-3-methylbenzo[g]pteridine-2,4-dione (PubChem CID 14016403) has the molecular formula C18H13ClN4O2 and a molecular weight of 352.78 g/mol. Its IUPAC name is 10-(4-chloro-2-methylphenyl)-3-methylbenzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name10-(4-chloro-2-methylphenyl)-3-methylbenzo[g]pteridine-2,4-dione
PubChem CID14016403
Molecular FormulaC18H13ClN4O2
Molecular Weight352.78 g/mol
Exact Mass352.07
IUPAC Name10-(4-chloro-2-methylphenyl)-3-methylbenzo[g]pteridine-2,4-dione
SMILESCc1cc(Cl)ccc1-n1c2nc(=O)n(C)c(=O)c-2nc2ccccc21
InChIInChI=1S/C18H13ClN4O2/c1-10-9-11(19)7-8-13(10)23-14-6-4-3-5-12(14)20-15-16(23)21-18(25)22(2)17(15)24/h3-9H,1-2H3
InChIKeyXCXPLNYSLASYRV-UHFFFAOYSA-N
XLogP2.55
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 10-(4-chloro-2-methylphenyl)-3-methylbenzo[g]pteridine-2,4-dione?
The IUPAC name of 10-(4-chloro-2-methylphenyl)-3-methylbenzo[g]pteridine-2,4-dione (CID 14016403) is 10-(4-chloro-2-methylphenyl)-3-methylbenzo[g]pteridine-2,4-dione.
What is the SMILES notation for 10-(4-chloro-2-methylphenyl)-3-methylbenzo[g]pteridine-2,4-dione?
The canonical SMILES for 10-(4-chloro-2-methylphenyl)-3-methylbenzo[g]pteridine-2,4-dione is Cc1cc(Cl)ccc1-n1c2nc(=O)n(C)c(=O)c-2nc2ccccc21.
What is the InChIKey of 10-(4-chloro-2-methylphenyl)-3-methylbenzo[g]pteridine-2,4-dione?
The InChIKey is XCXPLNYSLASYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O2/c1-10-9-11(19)7-8-13(10)23-14-6-4-3-5-12(14)20-15-16(23)21-18(25)22(2)17(15)24/h3-9H,1-2H3.
What are the key properties of 10-(4-chloro-2-methylphenyl)-3-methylbenzo[g]pteridine-2,4-dione?
10-(4-chloro-2-methylphenyl)-3-methylbenzo[g]pteridine-2,4-dione has a molecular weight of 352.78 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-chloro-2-methylphenyl)-3-methylbenzo[g]pteridine-2,4-dione is sourced from PubChem (CID 14016403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).