6-bromobenzo[h]quinoline;4-bromonaphthalen-1-amine

C23H16Br2N2 — CID 159717340

IUPAC6-bromobenzo[h]quinoline;4-bromonaphthalen-1-amine
SMILESBrc1cc2cccnc2c2ccccc12.Nc1ccc(Br)c2ccccc12
InChIInChI=1S/C13H8BrN.C10H8BrN/c14-12-8-9-4-3-7-15-13(9)11-6-2-1-5-10(11)12;11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-8H;1-6H,12H2
InChIKeyMZPFUUVUYOGWHT-UHFFFAOYSA-N
MW480.20 g/mol
LogP7.34
Rot. Bonds

About 6-bromobenzo[h]quinoline;4-bromonaphthalen-1-amine

6-bromobenzo[h]quinoline;4-bromonaphthalen-1-amine (PubChem CID 159717340) has the molecular formula C23H16Br2N2 and a molecular weight of 480.20 g/mol. Its IUPAC name is 6-bromobenzo[h]quinoline;4-bromonaphthalen-1-amine.

Molecular Properties

Compound Name6-bromobenzo[h]quinoline;4-bromonaphthalen-1-amine
PubChem CID159717340
Molecular FormulaC23H16Br2N2
Molecular Weight480.20 g/mol
Exact Mass477.97
IUPAC Name6-bromobenzo[h]quinoline;4-bromonaphthalen-1-amine
SMILESBrc1cc2cccnc2c2ccccc12.Nc1ccc(Br)c2ccccc12
InChIInChI=1S/C13H8BrN.C10H8BrN/c14-12-8-9-4-3-7-15-13(9)11-6-2-1-5-10(11)12;11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-8H;1-6H,12H2
InChIKeyMZPFUUVUYOGWHT-UHFFFAOYSA-N
XLogP7.34
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.20
LogP ≤ 57.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-bromobenzo[h]quinoline;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[h]quinoline
CID 162125390
2-(4-bromonaphthalen-1-yl)-1,10-phenanthroline
CID 118861987
benzo[g]quinolin-10-amine
CID 23616349
iron;tris(1,10-phenanthrolin-5-amine)
CID 67973166
CID 87856781
CID 87856781
naphtho[2,3-f][1,10]phenanthroline
CID 15381524
benzo[h]quinoline;naphthalene
CID 175017782
1,4-dibromonaphthalene
CID 162208061
benzo[h]quinoline-5,10-diamine
CID 121329472
8-N-(2-bromo-4-methylphenyl)quinoline-5,8-diamine
CID 43450156
6-(6-bromoquinolin-2-yl)benzo[h]quinoline
CID 129208702
ethane;quinolin-8-amine
CID 91158659

Frequently Asked Questions

What is the IUPAC name of 6-bromobenzo[h]quinoline;4-bromonaphthalen-1-amine?
The IUPAC name of 6-bromobenzo[h]quinoline;4-bromonaphthalen-1-amine (CID 159717340) is 6-bromobenzo[h]quinoline;4-bromonaphthalen-1-amine.
What is the SMILES notation for 6-bromobenzo[h]quinoline;4-bromonaphthalen-1-amine?
The canonical SMILES for 6-bromobenzo[h]quinoline;4-bromonaphthalen-1-amine is Brc1cc2cccnc2c2ccccc12.Nc1ccc(Br)c2ccccc12.
What is the InChIKey of 6-bromobenzo[h]quinoline;4-bromonaphthalen-1-amine?
The InChIKey is MZPFUUVUYOGWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN.C10H8BrN/c14-12-8-9-4-3-7-15-13(9)11-6-2-1-5-10(11)12;11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-8H;1-6H,12H2.
What are the key properties of 6-bromobenzo[h]quinoline;4-bromonaphthalen-1-amine?
6-bromobenzo[h]quinoline;4-bromonaphthalen-1-amine has a molecular weight of 480.20 g/mol, XLogP of 7.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromobenzo[h]quinoline;4-bromonaphthalen-1-amine is sourced from PubChem (CID 159717340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).