3-benzyl-7-methyl-1H-1,8-naphthyridin-4-one

C16H14N2O — CID 15557795

IUPAC3-benzyl-7-methyl-1H-1,8-naphthyridin-4-one
SMILESCc1ccc2c(=O)c(Cc3ccccc3)c[nH]c2n1
InChIInChI=1S/C16H14N2O/c1-11-7-8-14-15(19)13(10-17-16(14)18-11)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,17,18,19)
InChIKeyQRUPNIJLOWMQBO-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.82
Rot. Bonds2

About 3-benzyl-7-methyl-1H-1,8-naphthyridin-4-one

3-benzyl-7-methyl-1H-1,8-naphthyridin-4-one (PubChem CID 15557795) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-benzyl-7-methyl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name3-benzyl-7-methyl-1H-1,8-naphthyridin-4-one
PubChem CID15557795
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name3-benzyl-7-methyl-1H-1,8-naphthyridin-4-one
SMILESCc1ccc2c(=O)c(Cc3ccccc3)c[nH]c2n1
InChIInChI=1S/C16H14N2O/c1-11-7-8-14-15(19)13(10-17-16(14)18-11)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,17,18,19)
InChIKeyQRUPNIJLOWMQBO-UHFFFAOYSA-N
XLogP2.82
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-7-methyl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 3-benzyl-7-methyl-1H-1,8-naphthyridin-4-one (CID 15557795) is 3-benzyl-7-methyl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 3-benzyl-7-methyl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 3-benzyl-7-methyl-1H-1,8-naphthyridin-4-one is Cc1ccc2c(=O)c(Cc3ccccc3)c[nH]c2n1.
What is the InChIKey of 3-benzyl-7-methyl-1H-1,8-naphthyridin-4-one?
The InChIKey is QRUPNIJLOWMQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-11-7-8-14-15(19)13(10-17-16(14)18-11)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,17,18,19).
What are the key properties of 3-benzyl-7-methyl-1H-1,8-naphthyridin-4-one?
3-benzyl-7-methyl-1H-1,8-naphthyridin-4-one has a molecular weight of 250.30 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-7-methyl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 15557795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).