8-chloro-3-pentyl-2-thiophen-2-ylquinoline

C18H18ClNS — CID 102126572

IUPAC8-chloro-3-pentyl-2-thiophen-2-ylquinoline
SMILESCCCCCc1cc2cccc(Cl)c2nc1-c1cccs1
InChIInChI=1S/C18H18ClNS/c1-2-3-4-7-14-12-13-8-5-9-15(19)17(13)20-18(14)16-10-6-11-21-16/h5-6,8-12H,2-4,7H2,1H3
InChIKeyFJLHLRHPLQEZGQ-UHFFFAOYSA-N
MW315.87 g/mol
LogP6.35
Rot. Bonds5

About 8-chloro-3-pentyl-2-thiophen-2-ylquinoline

8-chloro-3-pentyl-2-thiophen-2-ylquinoline (PubChem CID 102126572) has the molecular formula C18H18ClNS and a molecular weight of 315.87 g/mol. Its IUPAC name is 8-chloro-3-pentyl-2-thiophen-2-ylquinoline.

Molecular Properties

Compound Name8-chloro-3-pentyl-2-thiophen-2-ylquinoline
PubChem CID102126572
Molecular FormulaC18H18ClNS
Molecular Weight315.87 g/mol
Exact Mass315.08
IUPAC Name8-chloro-3-pentyl-2-thiophen-2-ylquinoline
SMILESCCCCCc1cc2cccc(Cl)c2nc1-c1cccs1
InChIInChI=1S/C18H18ClNS/c1-2-3-4-7-14-12-13-8-5-9-15(19)17(13)20-18(14)16-10-6-11-21-16/h5-6,8-12H,2-4,7H2,1H3
InChIKeyFJLHLRHPLQEZGQ-UHFFFAOYSA-N
XLogP6.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.87
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]cyclopropanamine
CID 26275669
3-decyl-5-(4-decyl-5-thiophen-2-ylthiophen-2-yl)-2-thiophen-2-ylthiophene
CID 15363325
3-pentyl-2-thiophen-2-ylthiophene;phenazine
CID 175409994
2-(1-hexylanthracen-9-yl)thiophene
CID 141284858
5-chloro-7-hexyl-4-(4-hexyl-5-thiophen-2-ylthiophen-2-yl)-1,2,3-benzothiadiazole
CID 118900449
5-decyl-4,7-dithiophen-2-yl-2H-benzotriazole
CID 141326077
3-hexyl-5-phenyl-2-thiophen-2-ylthiophene
CID 132551010
4-hexyl-1-methyl-3-thiophen-2-ylisoquinoline
CID 138972872
2,12-dihexyl-7,17-bis(5-thiophen-2-ylthiophen-2-yl)-6,16-dithia-4,10,14,20-tetrazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3,5(9),7,10,12,14,17,19-nonaene
CID 59467686
8-chloro-3-ethyl-2-pyridin-2-ylquinoline
CID 70898648
8-chloro-3-(2-chloroethyl)-2-(2-methyl-3-pyridinyl)quinoline
CID 69044074
4-nonyl-2-(4-nonyl-5-thiophen-2-yl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,3-thiazole
CID 101449342

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-pentyl-2-thiophen-2-ylquinoline?
The IUPAC name of 8-chloro-3-pentyl-2-thiophen-2-ylquinoline (CID 102126572) is 8-chloro-3-pentyl-2-thiophen-2-ylquinoline.
What is the SMILES notation for 8-chloro-3-pentyl-2-thiophen-2-ylquinoline?
The canonical SMILES for 8-chloro-3-pentyl-2-thiophen-2-ylquinoline is CCCCCc1cc2cccc(Cl)c2nc1-c1cccs1.
What is the InChIKey of 8-chloro-3-pentyl-2-thiophen-2-ylquinoline?
The InChIKey is FJLHLRHPLQEZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNS/c1-2-3-4-7-14-12-13-8-5-9-15(19)17(13)20-18(14)16-10-6-11-21-16/h5-6,8-12H,2-4,7H2,1H3.
What are the key properties of 8-chloro-3-pentyl-2-thiophen-2-ylquinoline?
8-chloro-3-pentyl-2-thiophen-2-ylquinoline has a molecular weight of 315.87 g/mol, XLogP of 6.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-pentyl-2-thiophen-2-ylquinoline is sourced from PubChem (CID 102126572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).