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

C24H17N3O — CID 121275735

IUPAC3-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2ccncc2ncn1Cc1cccc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C24H17N3O/c28-24-22-10-11-25-14-23(22)26-16-27(24)15-17-4-3-7-19(12-17)21-9-8-18-5-1-2-6-20(18)13-21/h1-14,16H,15H2
InChIKeyONUVCPOHQUGRCH-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.66
Rot. Bonds3

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

3-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one (PubChem CID 121275735) has the molecular formula C24H17N3O and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one
PubChem CID121275735
Molecular FormulaC24H17N3O
Molecular Weight363.42 g/mol
Exact Mass363.14
IUPAC Name3-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2ccncc2ncn1Cc1cccc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C24H17N3O/c28-24-22-10-11-25-14-23(22)26-16-27(24)15-17-4-3-7-19(12-17)21-9-8-18-5-1-2-6-20(18)13-21/h1-14,16H,15H2
InChIKeyONUVCPOHQUGRCH-UHFFFAOYSA-N
XLogP4.66
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one (CID 121275735) is 3-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one is O=c1c2ccncc2ncn1Cc1cccc(-c2ccc3ccccc3c2)c1.
What is the InChIKey of 3-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is ONUVCPOHQUGRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O/c28-24-22-10-11-25-14-23(22)26-16-27(24)15-17-4-3-7-19(12-17)21-9-8-18-5-1-2-6-20(18)13-21/h1-14,16H,15H2.
What are the key properties of 3-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one?
3-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 363.42 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 121275735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).