1-bromo-3H-benzo[c][1,7]naphthyridin-4-one

C12H7BrN2O — CID 139599899

IUPAC1-bromo-3H-benzo[c][1,7]naphthyridin-4-one
SMILESO=c1[nH]cc(Br)c2c1ncc1ccccc12
InChIInChI=1S/C12H7BrN2O/c13-9-6-15-12(16)11-10(9)8-4-2-1-3-7(8)5-14-11/h1-6H,(H,15,16)
InChIKeyDBXMJJDAYHYMBV-UHFFFAOYSA-N
MW275.11 g/mol
LogP2.84
Rot. Bonds

About 1-bromo-3H-benzo[c][1,7]naphthyridin-4-one

1-bromo-3H-benzo[c][1,7]naphthyridin-4-one (PubChem CID 139599899) has the molecular formula C12H7BrN2O and a molecular weight of 275.11 g/mol. Its IUPAC name is 1-bromo-3H-benzo[c][1,7]naphthyridin-4-one.

Molecular Properties

Compound Name1-bromo-3H-benzo[c][1,7]naphthyridin-4-one
PubChem CID139599899
Molecular FormulaC12H7BrN2O
Molecular Weight275.11 g/mol
Exact Mass273.97
IUPAC Name1-bromo-3H-benzo[c][1,7]naphthyridin-4-one
SMILESO=c1[nH]cc(Br)c2c1ncc1ccccc12
InChIInChI=1S/C12H7BrN2O/c13-9-6-15-12(16)11-10(9)8-4-2-1-3-7(8)5-14-11/h1-6H,(H,15,16)
InChIKeyDBXMJJDAYHYMBV-UHFFFAOYSA-N
XLogP2.84
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.11
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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4H-benzo[f][1,8]naphthyridin-3-one
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ethane;4-methyl-2H-isoquinolin-3-one
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4-bromo-6-chloro-2H-[1]benzothiolo[3,2-c]pyridin-1-one
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7-hydroxy-3,24-diazahexacyclo[14.8.0.02,10.04,9.011,15.017,22]tetracosa-1,4(9),5,7,10,15,17,19,21,23-decaen-12-one
CID 162293939

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3H-benzo[c][1,7]naphthyridin-4-one?
The IUPAC name of 1-bromo-3H-benzo[c][1,7]naphthyridin-4-one (CID 139599899) is 1-bromo-3H-benzo[c][1,7]naphthyridin-4-one.
What is the SMILES notation for 1-bromo-3H-benzo[c][1,7]naphthyridin-4-one?
The canonical SMILES for 1-bromo-3H-benzo[c][1,7]naphthyridin-4-one is O=c1[nH]cc(Br)c2c1ncc1ccccc12.
What is the InChIKey of 1-bromo-3H-benzo[c][1,7]naphthyridin-4-one?
The InChIKey is DBXMJJDAYHYMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN2O/c13-9-6-15-12(16)11-10(9)8-4-2-1-3-7(8)5-14-11/h1-6H,(H,15,16).
What are the key properties of 1-bromo-3H-benzo[c][1,7]naphthyridin-4-one?
1-bromo-3H-benzo[c][1,7]naphthyridin-4-one has a molecular weight of 275.11 g/mol, XLogP of 2.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3H-benzo[c][1,7]naphthyridin-4-one is sourced from PubChem (CID 139599899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).