3-[(4-phenylphenyl)methyl]pyrido[3,2-d]pyrimidin-4-one

C20H15N3O — CID 121275650

IUPAC3-[(4-phenylphenyl)methyl]pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1c2ncccc2ncn1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H15N3O/c24-20-19-18(7-4-12-21-19)22-14-23(20)13-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-12,14H,13H2
InChIKeyZJGCYMFOVGLJHV-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.51
Rot. Bonds3

About 3-[(4-phenylphenyl)methyl]pyrido[3,2-d]pyrimidin-4-one

3-[(4-phenylphenyl)methyl]pyrido[3,2-d]pyrimidin-4-one (PubChem CID 121275650) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-[(4-phenylphenyl)methyl]pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(4-phenylphenyl)methyl]pyrido[3,2-d]pyrimidin-4-one
PubChem CID121275650
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name3-[(4-phenylphenyl)methyl]pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1c2ncccc2ncn1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H15N3O/c24-20-19-18(7-4-12-21-19)22-14-23(20)13-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-12,14H,13H2
InChIKeyZJGCYMFOVGLJHV-UHFFFAOYSA-N
XLogP3.51
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(2-methylisoindol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one
CID 121275695
3-[[3-(2-methylisoindol-5-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one
CID 121275763
3-benzylimidazo[4,5-b]pyridine
CID 11009167
3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 852117
3-[(3-phenylphenyl)methyl]quinazolin-4-one
CID 121275766
3-benzyl-6-(pyridin-3-ylamino)pyrido[3,2-d]pyrimidin-4-one
CID 134808694
3-benzylpyrido[4,3-d]pyrimidin-4-one
CID 102429043
3-benzyl-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810809
3-benzyl-6-(1H-pyrazol-5-yl)quinazolin-4-one
CID 155594064
3-[(4-propoxyphenyl)methyl]quinazolin-4-one
CID 75386785
3-[[2,6-difluoro-4-(3-methyl-2,3-dihydro-1H-indazol-6-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one
CID 123764581
3-[[4-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]quinazolin-4-one
CID 121275641

Frequently Asked Questions

What is the IUPAC name of 3-[(4-phenylphenyl)methyl]pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[(4-phenylphenyl)methyl]pyrido[3,2-d]pyrimidin-4-one (CID 121275650) is 3-[(4-phenylphenyl)methyl]pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(4-phenylphenyl)methyl]pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[(4-phenylphenyl)methyl]pyrido[3,2-d]pyrimidin-4-one is O=c1c2ncccc2ncn1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-[(4-phenylphenyl)methyl]pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is ZJGCYMFOVGLJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c24-20-19-18(7-4-12-21-19)22-14-23(20)13-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-12,14H,13H2.
What are the key properties of 3-[(4-phenylphenyl)methyl]pyrido[3,2-d]pyrimidin-4-one?
3-[(4-phenylphenyl)methyl]pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 313.36 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-phenylphenyl)methyl]pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 121275650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).