10-(4-chlorophenyl)pyrido[3,2-g]pteridine-2,4-dione

C15H8ClN5O2 — CID 629679

IUPAC10-(4-chlorophenyl)pyrido[3,2-g]pteridine-2,4-dione
SMILESO=c1nc2n(-c3ccc(Cl)cc3)c3ncccc3nc-2c(=O)[nH]1
InChIInChI=1S/C15H8ClN5O2/c16-8-3-5-9(6-4-8)21-12-10(2-1-7-17-12)18-11-13(21)19-15(23)20-14(11)22/h1-7H,(H,20,22,23)
InChIKeyQMAOTOVCXYFBMB-UHFFFAOYSA-N
MW325.72 g/mol
LogP1.62
Rot. Bonds1

About 10-(4-chlorophenyl)pyrido[3,2-g]pteridine-2,4-dione

10-(4-chlorophenyl)pyrido[3,2-g]pteridine-2,4-dione (PubChem CID 629679) has the molecular formula C15H8ClN5O2 and a molecular weight of 325.72 g/mol. Its IUPAC name is 10-(4-chlorophenyl)pyrido[3,2-g]pteridine-2,4-dione.

Molecular Properties

Compound Name10-(4-chlorophenyl)pyrido[3,2-g]pteridine-2,4-dione
PubChem CID629679
Molecular FormulaC15H8ClN5O2
Molecular Weight325.72 g/mol
Exact Mass325.04
IUPAC Name10-(4-chlorophenyl)pyrido[3,2-g]pteridine-2,4-dione
SMILESO=c1nc2n(-c3ccc(Cl)cc3)c3ncccc3nc-2c(=O)[nH]1
InChIInChI=1S/C15H8ClN5O2/c16-8-3-5-9(6-4-8)21-12-10(2-1-7-17-12)18-11-13(21)19-15(23)20-14(11)22/h1-7H,(H,20,22,23)
InChIKeyQMAOTOVCXYFBMB-UHFFFAOYSA-N
XLogP1.62
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.72
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorophenyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione
CID 20565456
1-(4-chlorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 12760281
[(1S)-1-[3-(4-chlorophenyl)imidazo[4,5-b]pyridin-2-yl]ethyl]carbamic acid
CID 141346004
3-phenyl-2-[2,4,5-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine
CID 20606867
3-(4-fluorophenyl)-2-methylimidazo[4,5-b]pyridine
CID 14119097
3-(4-chlorophenyl)-2-(oxolan-2-yl)imidazo[4,5-b]pyridine
CID 117162643
2-(chloromethyl)-3-(4-fluorophenyl)imidazo[4,5-b]pyridine
CID 79289700
3-(4-fluorophenyl)-2-(5-methylfuran-2-yl)imidazo[4,5-b]pyridine
CID 117164589
2-(4-chlorophenyl)-4-(2-hydroxyethyl)pyrido[2,3-b]pyrazin-3-one;2-(4-fluorophenyl)-4-(2-hydroxyethyl)pyrido[2,3-b]pyrazin-3-one
CID 157216707
2-[3-bromo-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine
CID 23391310
2-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-3-(4-chlorophenyl)pyrido[3,2-d]pyrimidin-4-one
CID 70962726
2-(2-fluorophenyl)-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 83430661

Frequently Asked Questions

What is the IUPAC name of 10-(4-chlorophenyl)pyrido[3,2-g]pteridine-2,4-dione?
The IUPAC name of 10-(4-chlorophenyl)pyrido[3,2-g]pteridine-2,4-dione (CID 629679) is 10-(4-chlorophenyl)pyrido[3,2-g]pteridine-2,4-dione.
What is the SMILES notation for 10-(4-chlorophenyl)pyrido[3,2-g]pteridine-2,4-dione?
The canonical SMILES for 10-(4-chlorophenyl)pyrido[3,2-g]pteridine-2,4-dione is O=c1nc2n(-c3ccc(Cl)cc3)c3ncccc3nc-2c(=O)[nH]1.
What is the InChIKey of 10-(4-chlorophenyl)pyrido[3,2-g]pteridine-2,4-dione?
The InChIKey is QMAOTOVCXYFBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClN5O2/c16-8-3-5-9(6-4-8)21-12-10(2-1-7-17-12)18-11-13(21)19-15(23)20-14(11)22/h1-7H,(H,20,22,23).
What are the key properties of 10-(4-chlorophenyl)pyrido[3,2-g]pteridine-2,4-dione?
10-(4-chlorophenyl)pyrido[3,2-g]pteridine-2,4-dione has a molecular weight of 325.72 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-chlorophenyl)pyrido[3,2-g]pteridine-2,4-dione is sourced from PubChem (CID 629679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).