10-[(4-methoxyphenyl)methyl]pyrido[2,3-b][1,8]naphthyridin-5-one

C19H15N3O2 — CID 132515576

IUPAC10-[(4-methoxyphenyl)methyl]pyrido[2,3-b][1,8]naphthyridin-5-one
SMILESCOc1ccc(Cn2c3ncccc3c(=O)c3cccnc32)cc1
InChIInChI=1S/C19H15N3O2/c1-24-14-8-6-13(7-9-14)12-22-18-15(4-2-10-20-18)17(23)16-5-3-11-21-19(16)22/h2-11H,12H2,1H3
InChIKeyUMRFSADBFWASRB-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.00
Rot. Bonds3

About 10-[(4-methoxyphenyl)methyl]pyrido[2,3-b][1,8]naphthyridin-5-one

10-[(4-methoxyphenyl)methyl]pyrido[2,3-b][1,8]naphthyridin-5-one (PubChem CID 132515576) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 10-[(4-methoxyphenyl)methyl]pyrido[2,3-b][1,8]naphthyridin-5-one.

Molecular Properties

Compound Name10-[(4-methoxyphenyl)methyl]pyrido[2,3-b][1,8]naphthyridin-5-one
PubChem CID132515576
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name10-[(4-methoxyphenyl)methyl]pyrido[2,3-b][1,8]naphthyridin-5-one
SMILESCOc1ccc(Cn2c3ncccc3c(=O)c3cccnc32)cc1
InChIInChI=1S/C19H15N3O2/c1-24-14-8-6-13(7-9-14)12-22-18-15(4-2-10-20-18)17(23)16-5-3-11-21-19(16)22/h2-11H,12H2,1H3
InChIKeyUMRFSADBFWASRB-UHFFFAOYSA-N
XLogP3.00
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-[(4-methoxyphenyl)methyl]pyrido[2,3-b][1,8]naphthyridin-5-one?
The IUPAC name of 10-[(4-methoxyphenyl)methyl]pyrido[2,3-b][1,8]naphthyridin-5-one (CID 132515576) is 10-[(4-methoxyphenyl)methyl]pyrido[2,3-b][1,8]naphthyridin-5-one.
What is the SMILES notation for 10-[(4-methoxyphenyl)methyl]pyrido[2,3-b][1,8]naphthyridin-5-one?
The canonical SMILES for 10-[(4-methoxyphenyl)methyl]pyrido[2,3-b][1,8]naphthyridin-5-one is COc1ccc(Cn2c3ncccc3c(=O)c3cccnc32)cc1.
What is the InChIKey of 10-[(4-methoxyphenyl)methyl]pyrido[2,3-b][1,8]naphthyridin-5-one?
The InChIKey is UMRFSADBFWASRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-24-14-8-6-13(7-9-14)12-22-18-15(4-2-10-20-18)17(23)16-5-3-11-21-19(16)22/h2-11H,12H2,1H3.
What are the key properties of 10-[(4-methoxyphenyl)methyl]pyrido[2,3-b][1,8]naphthyridin-5-one?
10-[(4-methoxyphenyl)methyl]pyrido[2,3-b][1,8]naphthyridin-5-one has a molecular weight of 317.35 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(4-methoxyphenyl)methyl]pyrido[2,3-b][1,8]naphthyridin-5-one is sourced from PubChem (CID 132515576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).