10-butylbenzo[f]quinoline

C17H17N — CID 15873192

IUPAC10-butylbenzo[f]quinoline
SMILESCCCCc1cccc2ccc3ncccc3c12
InChIInChI=1S/C17H17N/c1-2-3-6-13-7-4-8-14-10-11-16-15(17(13)14)9-5-12-18-16/h4-5,7-12H,2-3,6H2,1H3
InChIKeyRLPOLTKGOLOTBA-UHFFFAOYSA-N
MW235.33 g/mol
LogP4.73
Rot. Bonds3

About 10-butylbenzo[f]quinoline

10-butylbenzo[f]quinoline (PubChem CID 15873192) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 10-butylbenzo[f]quinoline.

Molecular Properties

Compound Name10-butylbenzo[f]quinoline
PubChem CID15873192
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name10-butylbenzo[f]quinoline
SMILESCCCCc1cccc2ccc3ncccc3c12
InChIInChI=1S/C17H17N/c1-2-3-6-13-7-4-8-14-10-11-16-15(17(13)14)9-5-12-18-16/h4-5,7-12H,2-3,6H2,1H3
InChIKeyRLPOLTKGOLOTBA-UHFFFAOYSA-N
XLogP4.73
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.73
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

8-butylbenzo[e]pyrene
CID 150037437
1-butylnaphthalene;ethane
CID 142087052
benzo[f]quinoline;iodomethane
CID 21121996
ethane;5-ethylquinoline
CID 143401043
azane;1-butylnaphthalene;methane
CID 174691035
1-butyl-11H-benzo[a]carbazole
CID 70621746
4-butyl-1,8-naphthyridine
CID 20689310
(8-pentylnaphthalen-1-yl)methanol
CID 101074092
13,23-diazahexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1,3,5,7,9,11,13,15,17,19(24),20,22,25-tridecaene
CID 175483832
2-butyl-1-(2-butylnaphthalen-1-yl)naphthalene
CID 59129933
1-tetradecylnaphthalene
CID 14402128
2-methyl-N-(3-quinolin-5-ylpropyl)propan-2-amine
CID 81221155

Frequently Asked Questions

What is the IUPAC name of 10-butylbenzo[f]quinoline?
The IUPAC name of 10-butylbenzo[f]quinoline (CID 15873192) is 10-butylbenzo[f]quinoline.
What is the SMILES notation for 10-butylbenzo[f]quinoline?
The canonical SMILES for 10-butylbenzo[f]quinoline is CCCCc1cccc2ccc3ncccc3c12.
What is the InChIKey of 10-butylbenzo[f]quinoline?
The InChIKey is RLPOLTKGOLOTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-2-3-6-13-7-4-8-14-10-11-16-15(17(13)14)9-5-12-18-16/h4-5,7-12H,2-3,6H2,1H3.
What are the key properties of 10-butylbenzo[f]quinoline?
10-butylbenzo[f]quinoline has a molecular weight of 235.33 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-butylbenzo[f]quinoline is sourced from PubChem (CID 15873192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).