1-bromonaphtho[2,3-f]quinoline

C17H10BrN — CID 88732930

IUPAC1-bromonaphtho[2,3-f]quinoline
SMILESBrc1ccnc2ccc3cc4ccccc4cc3c12
InChIInChI=1S/C17H10BrN/c18-15-7-8-19-16-6-5-13-9-11-3-1-2-4-12(11)10-14(13)17(15)16/h1-10H
InChIKeyWCTCHPBRHUCKMW-UHFFFAOYSA-N
MW308.18 g/mol
LogP5.30
Rot. Bonds

About 1-bromonaphtho[2,3-f]quinoline

1-bromonaphtho[2,3-f]quinoline (PubChem CID 88732930) has the molecular formula C17H10BrN and a molecular weight of 308.18 g/mol. Its IUPAC name is 1-bromonaphtho[2,3-f]quinoline.

Molecular Properties

Compound Name1-bromonaphtho[2,3-f]quinoline
PubChem CID88732930
Molecular FormulaC17H10BrN
Molecular Weight308.18 g/mol
Exact Mass307.00
IUPAC Name1-bromonaphtho[2,3-f]quinoline
SMILESBrc1ccnc2ccc3cc4ccccc4cc3c12
InChIInChI=1S/C17H10BrN/c18-15-7-8-19-16-6-5-13-9-11-3-1-2-4-12(11)10-14(13)17(15)16/h1-10H
InChIKeyWCTCHPBRHUCKMW-UHFFFAOYSA-N
XLogP5.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.18
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromonaphtho[2,3-f]quinoline?
The IUPAC name of 1-bromonaphtho[2,3-f]quinoline (CID 88732930) is 1-bromonaphtho[2,3-f]quinoline.
What is the SMILES notation for 1-bromonaphtho[2,3-f]quinoline?
The canonical SMILES for 1-bromonaphtho[2,3-f]quinoline is Brc1ccnc2ccc3cc4ccccc4cc3c12.
What is the InChIKey of 1-bromonaphtho[2,3-f]quinoline?
The InChIKey is WCTCHPBRHUCKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrN/c18-15-7-8-19-16-6-5-13-9-11-3-1-2-4-12(11)10-14(13)17(15)16/h1-10H.
What are the key properties of 1-bromonaphtho[2,3-f]quinoline?
1-bromonaphtho[2,3-f]quinoline has a molecular weight of 308.18 g/mol, XLogP of 5.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromonaphtho[2,3-f]quinoline is sourced from PubChem (CID 88732930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).