2-anilino-8-[(3-methylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one

C21H18N4O — CID 18374901

IUPAC2-anilino-8-[(3-methylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cccc(Cn2c(=O)ccc3cnc(Nc4ccccc4)nc32)c1
InChIInChI=1S/C21H18N4O/c1-15-6-5-7-16(12-15)14-25-19(26)11-10-17-13-22-21(24-20(17)25)23-18-8-3-2-4-9-18/h2-13H,14H2,1H3,(H,22,23,24)
InChIKeyPBIIHLSQHBOXRU-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.89
Rot. Bonds4

About 2-anilino-8-[(3-methylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one

2-anilino-8-[(3-methylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 18374901) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-anilino-8-[(3-methylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-anilino-8-[(3-methylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID18374901
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name2-anilino-8-[(3-methylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cccc(Cn2c(=O)ccc3cnc(Nc4ccccc4)nc32)c1
InChIInChI=1S/C21H18N4O/c1-15-6-5-7-16(12-15)14-25-19(26)11-10-17-13-22-21(24-20(17)25)23-18-8-3-2-4-9-18/h2-13H,14H2,1H3,(H,22,23,24)
InChIKeyPBIIHLSQHBOXRU-UHFFFAOYSA-N
XLogP3.89
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-8-[(3-methylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-anilino-8-[(3-methylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one (CID 18374901) is 2-anilino-8-[(3-methylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-anilino-8-[(3-methylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-anilino-8-[(3-methylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one is Cc1cccc(Cn2c(=O)ccc3cnc(Nc4ccccc4)nc32)c1.
What is the InChIKey of 2-anilino-8-[(3-methylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is PBIIHLSQHBOXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-15-6-5-7-16(12-15)14-25-19(26)11-10-17-13-22-21(24-20(17)25)23-18-8-3-2-4-9-18/h2-13H,14H2,1H3,(H,22,23,24).
What are the key properties of 2-anilino-8-[(3-methylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one?
2-anilino-8-[(3-methylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 342.40 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-8-[(3-methylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 18374901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).