4-(3-fluorocyclobutyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,9-tetrahydrocyclopenta[b]quinoline

C24H33FN2O2 — CID 130345827

IUPAC4-(3-fluorocyclobutyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,9-tetrahydrocyclopenta[b]quinoline
SMILESCOc1cc2c(cc1OCCCN1CCCC1)N(C1CC(F)C1)C1=C(CCC1)C2
InChIInChI=1S/C24H33FN2O2/c1-28-23-13-18-12-17-6-4-7-21(17)27(20-14-19(25)15-20)22(18)16-24(23)29-11-5-10-26-8-2-3-9-26/h13,16,19-20H,2-12,14-15H2,1H3
InChIKeyLQZFYADCEXCZJO-UHFFFAOYSA-N
MW400.54 g/mol
LogP4.86
Rot. Bonds7

About 4-(3-fluorocyclobutyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,9-tetrahydrocyclopenta[b]quinoline

4-(3-fluorocyclobutyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,9-tetrahydrocyclopenta[b]quinoline (PubChem CID 130345827) has the molecular formula C24H33FN2O2 and a molecular weight of 400.54 g/mol. Its IUPAC name is 4-(3-fluorocyclobutyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,9-tetrahydrocyclopenta[b]quinoline.

Molecular Properties

Compound Name4-(3-fluorocyclobutyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,9-tetrahydrocyclopenta[b]quinoline
PubChem CID130345827
Molecular FormulaC24H33FN2O2
Molecular Weight400.54 g/mol
Exact Mass400.25
IUPAC Name4-(3-fluorocyclobutyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,9-tetrahydrocyclopenta[b]quinoline
SMILESCOc1cc2c(cc1OCCCN1CCCC1)N(C1CC(F)C1)C1=C(CCC1)C2
InChIInChI=1S/C24H33FN2O2/c1-28-23-13-18-12-17-6-4-7-21(17)27(20-14-19(25)15-20)22(18)16-24(23)29-11-5-10-26-8-2-3-9-26/h13,16,19-20H,2-12,14-15H2,1H3
InChIKeyLQZFYADCEXCZJO-UHFFFAOYSA-N
XLogP4.86
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6'-[3-[(3R)-3-fluoropyrrolidin-1-yl]propoxy]-5'-methoxyspiro[cyclobutane-1,3'-indole]-2'-amine
CID 76310298
6'-[3-[(3S)-3-fluoropyrrolidin-1-yl]propoxy]-5'-methoxyspiro[cyclobutane-1,3'-indole]-2'-amine
CID 76313973
5,6-Dimethoxyindoline
CID 11062978
2,3,9,10-Tetramethoxy-5,6,12,12a-tetrahydroindolo[2,1-a]isoquinoline
CID 366737
(6S,7R,11R)-10-(3,4-dimethoxyphenyl)-14,15-dimethoxy-2,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),12,14-triene
CID 168291676
(6R,7R,11R)-14,15-dimethoxy-10-[(4-methylphenyl)methyl]-2,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),12,14-triene
CID 168292376
(1R,10S,22R,23R,24S)-16,17-dimethoxy-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,14,16,18-tetraene-4-carbonitrile
CID 162867050
1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-3-methylbutan-1-one
CID 134805428
1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-methylpropan-1-one
CID 134808171
1-Acetyl-5,6-dimethoxyindoline
CID 12626090
2H,3H,6H,7H,8H-[1,4]dioxino[2,3-f]indole
CID 43617598
5-Methoxy-1'-methyl-6-phenylmethoxyspiro[1,2-dihydroindole-3,4'-piperidine]
CID 178301409

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorocyclobutyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,9-tetrahydrocyclopenta[b]quinoline?
The IUPAC name of 4-(3-fluorocyclobutyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,9-tetrahydrocyclopenta[b]quinoline (CID 130345827) is 4-(3-fluorocyclobutyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,9-tetrahydrocyclopenta[b]quinoline.
What is the SMILES notation for 4-(3-fluorocyclobutyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,9-tetrahydrocyclopenta[b]quinoline?
The canonical SMILES for 4-(3-fluorocyclobutyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,9-tetrahydrocyclopenta[b]quinoline is COc1cc2c(cc1OCCCN1CCCC1)N(C1CC(F)C1)C1=C(CCC1)C2.
What is the InChIKey of 4-(3-fluorocyclobutyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,9-tetrahydrocyclopenta[b]quinoline?
The InChIKey is LQZFYADCEXCZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN2O2/c1-28-23-13-18-12-17-6-4-7-21(17)27(20-14-19(25)15-20)22(18)16-24(23)29-11-5-10-26-8-2-3-9-26/h13,16,19-20H,2-12,14-15H2,1H3.
What are the key properties of 4-(3-fluorocyclobutyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,9-tetrahydrocyclopenta[b]quinoline?
4-(3-fluorocyclobutyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,9-tetrahydrocyclopenta[b]quinoline has a molecular weight of 400.54 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorocyclobutyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,9-tetrahydrocyclopenta[b]quinoline is sourced from PubChem (CID 130345827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).