1-[5-(8aH-quinolin-1-yl)pentyl]-8aH-quinoline

C23H26N2 — CID 23374061

IUPAC1-[5-(8aH-quinolin-1-yl)pentyl]-8aH-quinoline
SMILESC1=CC2=CC=CN(CCCCCN3C=CC=C4C=CC=CC43)C2C=C1
InChIInChI=1S/C23H26N2/c1(6-16-24-18-8-12-20-10-2-4-14-22(20)24)7-17-25-19-9-13-21-11-3-5-15-23(21)25/h2-5,8-15,18-19,22-23H,1,6-7,16-17H2
InChIKeyLPBHSJACHYUFGU-UHFFFAOYSA-N
MW330.48 g/mol
LogP4.66
Rot. Bonds6

About 1-[5-(8aH-quinolin-1-yl)pentyl]-8aH-quinoline

1-[5-(8aH-quinolin-1-yl)pentyl]-8aH-quinoline (PubChem CID 23374061) has the molecular formula C23H26N2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 1-[5-(8aH-quinolin-1-yl)pentyl]-8aH-quinoline.

Molecular Properties

Compound Name1-[5-(8aH-quinolin-1-yl)pentyl]-8aH-quinoline
PubChem CID23374061
Molecular FormulaC23H26N2
Molecular Weight330.48 g/mol
Exact Mass330.21
IUPAC Name1-[5-(8aH-quinolin-1-yl)pentyl]-8aH-quinoline
SMILESC1=CC2=CC=CN(CCCCCN3C=CC=C4C=CC=CC43)C2C=C1
InChIInChI=1S/C23H26N2/c1(6-16-24-18-8-12-20-10-2-4-14-22(20)24)7-17-25-19-9-13-21-11-3-5-15-23(21)25/h2-5,8-15,18-19,22-23H,1,6-7,16-17H2
InChIKeyLPBHSJACHYUFGU-UHFFFAOYSA-N
XLogP4.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[5-(8aH-quinolin-1-yl)pentyl]-8aH-quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,7a-Dihydroindolo[2,1-a]isoquinoline
CID 150009460
1-(11-Tricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaenyl)piperidine
CID 91294515
2-Azatetracyclo[10.2.2.02,11.04,9]hexadeca-3,5,9,11,13-pentaene
CID 91470912
3,4-diethyl-4H-quinolizine
CID 135061843
9-Azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,13(17),14-hexaene
CID 21886953
1-Azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5,7,9,11,13-hexaene
CID 54209851
1H-pyrido[1,2-f]phenanthridine
CID 56616008
N-cyclohexyl-4-methyl-N-phenylbenzene-6-id-1-amine;yttrium
CID 58662977
2,7-Di(propan-2-yl)-1,3,4,8-tetrahydro-2,7-naphthyridine
CID 58748048
6,13-Dicyclohexyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,7,9,11,15-heptaene
CID 68746303
N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-methylcyclohexa-1,3-dien-1-amine
CID 71051948
7-Butan-2-yl-2-ethyl-1,3,4,8-tetrahydro-2,7-naphthyridine
CID 71066778

Frequently Asked Questions

What is the IUPAC name of 1-[5-(8aH-quinolin-1-yl)pentyl]-8aH-quinoline?
The IUPAC name of 1-[5-(8aH-quinolin-1-yl)pentyl]-8aH-quinoline (CID 23374061) is 1-[5-(8aH-quinolin-1-yl)pentyl]-8aH-quinoline.
What is the SMILES notation for 1-[5-(8aH-quinolin-1-yl)pentyl]-8aH-quinoline?
The canonical SMILES for 1-[5-(8aH-quinolin-1-yl)pentyl]-8aH-quinoline is C1=CC2=CC=CN(CCCCCN3C=CC=C4C=CC=CC43)C2C=C1.
What is the InChIKey of 1-[5-(8aH-quinolin-1-yl)pentyl]-8aH-quinoline?
The InChIKey is LPBHSJACHYUFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2/c1(6-16-24-18-8-12-20-10-2-4-14-22(20)24)7-17-25-19-9-13-21-11-3-5-15-23(21)25/h2-5,8-15,18-19,22-23H,1,6-7,16-17H2.
What are the key properties of 1-[5-(8aH-quinolin-1-yl)pentyl]-8aH-quinoline?
1-[5-(8aH-quinolin-1-yl)pentyl]-8aH-quinoline has a molecular weight of 330.48 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(8aH-quinolin-1-yl)pentyl]-8aH-quinoline is sourced from PubChem (CID 23374061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).