2-anilino-6-(4-chlorophenyl)-8-methylpteridin-7-one

C19H14ClN5O — CID 3234496

IUPAC2-anilino-6-(4-chlorophenyl)-8-methylpteridin-7-one
SMILESCn1c(=O)c(-c2ccc(Cl)cc2)nc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C19H14ClN5O/c1-25-17-15(11-21-19(24-17)22-14-5-3-2-4-6-14)23-16(18(25)26)12-7-9-13(20)10-8-12/h2-11H,1H3,(H,21,22,24)
InChIKeyUITAXHDGQUAAGC-UHFFFAOYSA-N
MW363.81 g/mol
LogP3.79
Rot. Bonds3

About 2-anilino-6-(4-chlorophenyl)-8-methylpteridin-7-one

2-anilino-6-(4-chlorophenyl)-8-methylpteridin-7-one (PubChem CID 3234496) has the molecular formula C19H14ClN5O and a molecular weight of 363.81 g/mol. Its IUPAC name is 2-anilino-6-(4-chlorophenyl)-8-methylpteridin-7-one.

Molecular Properties

Compound Name2-anilino-6-(4-chlorophenyl)-8-methylpteridin-7-one
PubChem CID3234496
Molecular FormulaC19H14ClN5O
Molecular Weight363.81 g/mol
Exact Mass363.09
IUPAC Name2-anilino-6-(4-chlorophenyl)-8-methylpteridin-7-one
SMILESCn1c(=O)c(-c2ccc(Cl)cc2)nc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C19H14ClN5O/c1-25-17-15(11-21-19(24-17)22-14-5-3-2-4-6-14)23-16(18(25)26)12-7-9-13(20)10-8-12/h2-11H,1H3,(H,21,22,24)
InChIKeyUITAXHDGQUAAGC-UHFFFAOYSA-N
XLogP3.79
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-6-(4-chlorophenyl)-8-methylpteridin-7-one?
The IUPAC name of 2-anilino-6-(4-chlorophenyl)-8-methylpteridin-7-one (CID 3234496) is 2-anilino-6-(4-chlorophenyl)-8-methylpteridin-7-one.
What is the SMILES notation for 2-anilino-6-(4-chlorophenyl)-8-methylpteridin-7-one?
The canonical SMILES for 2-anilino-6-(4-chlorophenyl)-8-methylpteridin-7-one is Cn1c(=O)c(-c2ccc(Cl)cc2)nc2cnc(Nc3ccccc3)nc21.
What is the InChIKey of 2-anilino-6-(4-chlorophenyl)-8-methylpteridin-7-one?
The InChIKey is UITAXHDGQUAAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O/c1-25-17-15(11-21-19(24-17)22-14-5-3-2-4-6-14)23-16(18(25)26)12-7-9-13(20)10-8-12/h2-11H,1H3,(H,21,22,24).
What are the key properties of 2-anilino-6-(4-chlorophenyl)-8-methylpteridin-7-one?
2-anilino-6-(4-chlorophenyl)-8-methylpteridin-7-one has a molecular weight of 363.81 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-6-(4-chlorophenyl)-8-methylpteridin-7-one is sourced from PubChem (CID 3234496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).