7-chloro-2-phenyl-3H-benzo[g]pteridin-4-one

C16H9ClN4O — CID 135822658

IUPAC7-chloro-2-phenyl-3H-benzo[g]pteridin-4-one
SMILESO=c1[nH]c(-c2ccccc2)nc2nc3ccc(Cl)cc3nc12
InChIInChI=1S/C16H9ClN4O/c17-10-6-7-11-12(8-10)18-13-15(19-11)20-14(21-16(13)22)9-4-2-1-3-5-9/h1-8H,(H,19,20,21,22)
InChIKeyYAVGOWZTMSYPQP-UHFFFAOYSA-N
MW308.73 g/mol
LogP3.19
Rot. Bonds1

About 7-chloro-2-phenyl-3H-benzo[g]pteridin-4-one

7-chloro-2-phenyl-3H-benzo[g]pteridin-4-one (PubChem CID 135822658) has the molecular formula C16H9ClN4O and a molecular weight of 308.73 g/mol. Its IUPAC name is 7-chloro-2-phenyl-3H-benzo[g]pteridin-4-one.

Molecular Properties

Compound Name7-chloro-2-phenyl-3H-benzo[g]pteridin-4-one
PubChem CID135822658
Molecular FormulaC16H9ClN4O
Molecular Weight308.73 g/mol
Exact Mass308.05
IUPAC Name7-chloro-2-phenyl-3H-benzo[g]pteridin-4-one
SMILESO=c1[nH]c(-c2ccccc2)nc2nc3ccc(Cl)cc3nc12
InChIInChI=1S/C16H9ClN4O/c17-10-6-7-11-12(8-10)18-13-15(19-11)20-14(21-16(13)22)9-4-2-1-3-5-9/h1-8H,(H,19,20,21,22)
InChIKeyYAVGOWZTMSYPQP-UHFFFAOYSA-N
XLogP3.19
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 53.19
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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Related Compounds

2-phenyl-3H-pyrimido[4,5-b]quinolin-4-one
CID 135603555
5,13-diphenyl-2,4,6,12,14-pentazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9,13-pentaene-7,11-dione
CID 135869738
5-(3-chlorophenyl)-4-hydroxy-2-phenyl-1H-pyrimidin-6-one
CID 79431425
6-chloro-3-(4-chlorophenyl)-2-phenylquinoxaline
CID 132520838
4-(3-chlorophenyl)-5-methyl-2-phenyl-1H-pyrimidin-6-one
CID 135453967
2,5-diphenyl-6H-triazolo[4,5-d]pyrimidin-7-one
CID 137189873
2-(3,5-dichlorophenyl)-3H-quinazolin-4-one
CID 168550718
6-fluoro-2-phenyl-3H-quinazolin-4-one
CID 135741351
2-[4-(3,5-dichlorophenyl)phenyl]-3H-quinazolin-4-one
CID 168551464
2,3,8-trichloroquinoxalino[2,3-b]quinoxaline
CID 101466553
4-(4-chloro-2-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one
CID 136769719
2-phenyl-1,7-dihydropurin-6-one
CID 135531822

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-phenyl-3H-benzo[g]pteridin-4-one?
The IUPAC name of 7-chloro-2-phenyl-3H-benzo[g]pteridin-4-one (CID 135822658) is 7-chloro-2-phenyl-3H-benzo[g]pteridin-4-one.
What is the SMILES notation for 7-chloro-2-phenyl-3H-benzo[g]pteridin-4-one?
The canonical SMILES for 7-chloro-2-phenyl-3H-benzo[g]pteridin-4-one is O=c1[nH]c(-c2ccccc2)nc2nc3ccc(Cl)cc3nc12.
What is the InChIKey of 7-chloro-2-phenyl-3H-benzo[g]pteridin-4-one?
The InChIKey is YAVGOWZTMSYPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClN4O/c17-10-6-7-11-12(8-10)18-13-15(19-11)20-14(21-16(13)22)9-4-2-1-3-5-9/h1-8H,(H,19,20,21,22).
What are the key properties of 7-chloro-2-phenyl-3H-benzo[g]pteridin-4-one?
7-chloro-2-phenyl-3H-benzo[g]pteridin-4-one has a molecular weight of 308.73 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-phenyl-3H-benzo[g]pteridin-4-one is sourced from PubChem (CID 135822658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).