9,9-dibutyl-3,4-dihydrocyclopenta[b]quinoline

C20H27N — CID 155459617

IUPAC9,9-dibutyl-3,4-dihydrocyclopenta[b]quinoline
SMILESCCCCC1(CCCC)C2=C(CC=C2)Nc2ccccc21
InChIInChI=1S/C20H27N/c1-3-5-14-20(15-6-4-2)16-10-7-8-12-18(16)21-19-13-9-11-17(19)20/h7-12,21H,3-6,13-15H2,1-2H3
InChIKeyBPSQLNYQTVSZNW-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.94
Rot. Bonds6

About 9,9-dibutyl-3,4-dihydrocyclopenta[b]quinoline

9,9-dibutyl-3,4-dihydrocyclopenta[b]quinoline (PubChem CID 155459617) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 9,9-dibutyl-3,4-dihydrocyclopenta[b]quinoline.

Molecular Properties

Compound Name9,9-dibutyl-3,4-dihydrocyclopenta[b]quinoline
PubChem CID155459617
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name9,9-dibutyl-3,4-dihydrocyclopenta[b]quinoline
SMILESCCCCC1(CCCC)C2=C(CC=C2)Nc2ccccc21
InChIInChI=1S/C20H27N/c1-3-5-14-20(15-6-4-2)16-10-7-8-12-18(16)21-19-13-9-11-17(19)20/h7-12,21H,3-6,13-15H2,1-2H3
InChIKeyBPSQLNYQTVSZNW-UHFFFAOYSA-N
XLogP5.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dibutyl-10H-acridine
CID 22754314
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CID 168997238
9,9-didecylfluorene
CID 5135289
9,9-di(docosyl)fluorene
CID 22568526
(4aR,9aR)-9a-butyl-4a-methyl-2,3,4,9-tetrahydro-1H-carbazole
CID 14942450
2-(3-butyl-1,2-dihydroindol-3-yl)-N-methylethanamine
CID 162726892
3-hydroxy-3-octyl-1H-indol-2-one
CID 83036797
4,4-dipentyl-1H-3,1-benzoxazin-2-one
CID 70402861
3,3-dibutyl-2,4-dihydro-1H-quinoxaline
CID 176936563
9',9'-dimethylspiro[1,4-dihydrocyclopenta[b]quinoline-9,10'-anthracene]
CID 155154701
5-pentyl-2,10-dihydro-1H-phenazine
CID 70231574

Frequently Asked Questions

What is the IUPAC name of 9,9-dibutyl-3,4-dihydrocyclopenta[b]quinoline?
The IUPAC name of 9,9-dibutyl-3,4-dihydrocyclopenta[b]quinoline (CID 155459617) is 9,9-dibutyl-3,4-dihydrocyclopenta[b]quinoline.
What is the SMILES notation for 9,9-dibutyl-3,4-dihydrocyclopenta[b]quinoline?
The canonical SMILES for 9,9-dibutyl-3,4-dihydrocyclopenta[b]quinoline is CCCCC1(CCCC)C2=C(CC=C2)Nc2ccccc21.
What is the InChIKey of 9,9-dibutyl-3,4-dihydrocyclopenta[b]quinoline?
The InChIKey is BPSQLNYQTVSZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-3-5-14-20(15-6-4-2)16-10-7-8-12-18(16)21-19-13-9-11-17(19)20/h7-12,21H,3-6,13-15H2,1-2H3.
What are the key properties of 9,9-dibutyl-3,4-dihydrocyclopenta[b]quinoline?
9,9-dibutyl-3,4-dihydrocyclopenta[b]quinoline has a molecular weight of 281.44 g/mol, XLogP of 5.94, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dibutyl-3,4-dihydrocyclopenta[b]quinoline is sourced from PubChem (CID 155459617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).