7-bromo-1-[(4-methoxyphenyl)methyl]-1,5-naphthyridin-2-one

C16H13BrN2O2 — CID 67993011

IUPAC7-bromo-1-[(4-methoxyphenyl)methyl]-1,5-naphthyridin-2-one
SMILESCOc1ccc(Cn2c(=O)ccc3ncc(Br)cc32)cc1
InChIInChI=1S/C16H13BrN2O2/c1-21-13-4-2-11(3-5-13)10-19-15-8-12(17)9-18-14(15)6-7-16(19)20/h2-9H,10H2,1H3
InChIKeyZBCVPGGJTYLGAK-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.22
Rot. Bonds3

About 7-bromo-1-[(4-methoxyphenyl)methyl]-1,5-naphthyridin-2-one

7-bromo-1-[(4-methoxyphenyl)methyl]-1,5-naphthyridin-2-one (PubChem CID 67993011) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is 7-bromo-1-[(4-methoxyphenyl)methyl]-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name7-bromo-1-[(4-methoxyphenyl)methyl]-1,5-naphthyridin-2-one
PubChem CID67993011
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name7-bromo-1-[(4-methoxyphenyl)methyl]-1,5-naphthyridin-2-one
SMILESCOc1ccc(Cn2c(=O)ccc3ncc(Br)cc32)cc1
InChIInChI=1S/C16H13BrN2O2/c1-21-13-4-2-11(3-5-13)10-19-15-8-12(17)9-18-14(15)6-7-16(19)20/h2-9H,10H2,1H3
InChIKeyZBCVPGGJTYLGAK-UHFFFAOYSA-N
XLogP3.22
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-[(4-methoxyphenyl)methyl]-1,5-naphthyridin-2-one?
The IUPAC name of 7-bromo-1-[(4-methoxyphenyl)methyl]-1,5-naphthyridin-2-one (CID 67993011) is 7-bromo-1-[(4-methoxyphenyl)methyl]-1,5-naphthyridin-2-one.
What is the SMILES notation for 7-bromo-1-[(4-methoxyphenyl)methyl]-1,5-naphthyridin-2-one?
The canonical SMILES for 7-bromo-1-[(4-methoxyphenyl)methyl]-1,5-naphthyridin-2-one is COc1ccc(Cn2c(=O)ccc3ncc(Br)cc32)cc1.
What is the InChIKey of 7-bromo-1-[(4-methoxyphenyl)methyl]-1,5-naphthyridin-2-one?
The InChIKey is ZBCVPGGJTYLGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c1-21-13-4-2-11(3-5-13)10-19-15-8-12(17)9-18-14(15)6-7-16(19)20/h2-9H,10H2,1H3.
What are the key properties of 7-bromo-1-[(4-methoxyphenyl)methyl]-1,5-naphthyridin-2-one?
7-bromo-1-[(4-methoxyphenyl)methyl]-1,5-naphthyridin-2-one has a molecular weight of 345.20 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-[(4-methoxyphenyl)methyl]-1,5-naphthyridin-2-one is sourced from PubChem (CID 67993011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).