10-(4-bromocyclohexa-1,3-dien-1-yl)benzo[h]quinoline

C19H14BrN — CID 153391148

IUPAC10-(4-bromocyclohexa-1,3-dien-1-yl)benzo[h]quinoline
SMILESBrC1=CC=C(c2cccc3ccc4cccnc4c23)CC1
InChIInChI=1S/C19H14BrN/c20-16-10-8-13(9-11-16)17-5-1-3-14-6-7-15-4-2-12-21-19(15)18(14)17/h1-8,10,12H,9,11H2
InChIKeyAPAJRUXMGMUBMH-UHFFFAOYSA-N
MW336.23 g/mol
LogP5.84
Rot. Bonds1

About 10-(4-bromocyclohexa-1,3-dien-1-yl)benzo[h]quinoline

10-(4-bromocyclohexa-1,3-dien-1-yl)benzo[h]quinoline (PubChem CID 153391148) has the molecular formula C19H14BrN and a molecular weight of 336.23 g/mol. Its IUPAC name is 10-(4-bromocyclohexa-1,3-dien-1-yl)benzo[h]quinoline.

Molecular Properties

Compound Name10-(4-bromocyclohexa-1,3-dien-1-yl)benzo[h]quinoline
PubChem CID153391148
Molecular FormulaC19H14BrN
Molecular Weight336.23 g/mol
Exact Mass335.03
IUPAC Name10-(4-bromocyclohexa-1,3-dien-1-yl)benzo[h]quinoline
SMILESBrC1=CC=C(c2cccc3ccc4cccnc4c23)CC1
InChIInChI=1S/C19H14BrN/c20-16-10-8-13(9-11-16)17-5-1-3-14-6-7-15-4-2-12-21-19(15)18(14)17/h1-8,10,12H,9,11H2
InChIKeyAPAJRUXMGMUBMH-UHFFFAOYSA-N
XLogP5.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.23
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-benzo[h]quinolin-10-yl-5-bromoaniline
CID 129037776
1,10-phenanthroline;samarium
CID 174616745
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
benzo[h]quinolin-10-olate
CID 101433150
10-(8-benzo[h]quinolin-10-yldibenzofuran-2-yl)benzo[h]quinoline
CID 146301042
10-(6-benzo[h]quinolin-10-yl-2,8-diphenyldibenzothiophen-4-yl)benzo[h]quinoline
CID 146300783
10-(6-phenyldibenzothiophen-4-yl)benzo[h]quinoline
CID 146300857

Frequently Asked Questions

What is the IUPAC name of 10-(4-bromocyclohexa-1,3-dien-1-yl)benzo[h]quinoline?
The IUPAC name of 10-(4-bromocyclohexa-1,3-dien-1-yl)benzo[h]quinoline (CID 153391148) is 10-(4-bromocyclohexa-1,3-dien-1-yl)benzo[h]quinoline.
What is the SMILES notation for 10-(4-bromocyclohexa-1,3-dien-1-yl)benzo[h]quinoline?
The canonical SMILES for 10-(4-bromocyclohexa-1,3-dien-1-yl)benzo[h]quinoline is BrC1=CC=C(c2cccc3ccc4cccnc4c23)CC1.
What is the InChIKey of 10-(4-bromocyclohexa-1,3-dien-1-yl)benzo[h]quinoline?
The InChIKey is APAJRUXMGMUBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN/c20-16-10-8-13(9-11-16)17-5-1-3-14-6-7-15-4-2-12-21-19(15)18(14)17/h1-8,10,12H,9,11H2.
What are the key properties of 10-(4-bromocyclohexa-1,3-dien-1-yl)benzo[h]quinoline?
10-(4-bromocyclohexa-1,3-dien-1-yl)benzo[h]quinoline has a molecular weight of 336.23 g/mol, XLogP of 5.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-bromocyclohexa-1,3-dien-1-yl)benzo[h]quinoline is sourced from PubChem (CID 153391148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).