9-chloro-5-phenyl-2,3-dihydro-1H-cyclopenta[b]quinoline

C18H14ClN — CID 63408824

IUPAC9-chloro-5-phenyl-2,3-dihydro-1H-cyclopenta[b]quinoline
SMILESClc1c2c(nc3c(-c4ccccc4)cccc13)CCC2
InChIInChI=1S/C18H14ClN/c19-17-14-9-5-11-16(14)20-18-13(8-4-10-15(17)18)12-6-2-1-3-7-12/h1-4,6-8,10H,5,9,11H2
InChIKeyZUKNPIACDHAILT-UHFFFAOYSA-N
MW279.77 g/mol
LogP5.04
Rot. Bonds1

About 9-chloro-5-phenyl-2,3-dihydro-1H-cyclopenta[b]quinoline

9-chloro-5-phenyl-2,3-dihydro-1H-cyclopenta[b]quinoline (PubChem CID 63408824) has the molecular formula C18H14ClN and a molecular weight of 279.77 g/mol. Its IUPAC name is 9-chloro-5-phenyl-2,3-dihydro-1H-cyclopenta[b]quinoline.

Molecular Properties

Compound Name9-chloro-5-phenyl-2,3-dihydro-1H-cyclopenta[b]quinoline
PubChem CID63408824
Molecular FormulaC18H14ClN
Molecular Weight279.77 g/mol
Exact Mass279.08
IUPAC Name9-chloro-5-phenyl-2,3-dihydro-1H-cyclopenta[b]quinoline
SMILESClc1c2c(nc3c(-c4ccccc4)cccc13)CCC2
InChIInChI=1S/C18H14ClN/c19-17-14-9-5-11-16(14)20-18-13(8-4-10-15(17)18)12-6-2-1-3-7-12/h1-4,6-8,10H,5,9,11H2
InChIKeyZUKNPIACDHAILT-UHFFFAOYSA-N
XLogP5.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.77
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-benzyl-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 63408868
5-bromo-9-chloro-1,2,3,4-tetrahydroacridine
CID 63408990
9-chloro-5-ethoxy-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 61381987
2-chloro-4-phenyl-5,6,7,8-tetrahydroquinoline
CID 15020616
11-chloro-4-(methoxymethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
CID 63351322
11-chloro-4-(2-methoxyethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
CID 102907667
4-chloro-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 118037090
4-chloro-2-ethyl-3-methyl-8-phenylquinoline
CID 63561680
11-chloro-4-fluoro-3-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
CID 114254573
4-chloro-8-phenylquinolin-3-amine
CID 102614156
4-chloro-2-phenyl-5,6,7,8-tetrahydroquinoline
CID 12798312
5,9-dichloro-7-methyl-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 63409268

Frequently Asked Questions

What is the IUPAC name of 9-chloro-5-phenyl-2,3-dihydro-1H-cyclopenta[b]quinoline?
The IUPAC name of 9-chloro-5-phenyl-2,3-dihydro-1H-cyclopenta[b]quinoline (CID 63408824) is 9-chloro-5-phenyl-2,3-dihydro-1H-cyclopenta[b]quinoline.
What is the SMILES notation for 9-chloro-5-phenyl-2,3-dihydro-1H-cyclopenta[b]quinoline?
The canonical SMILES for 9-chloro-5-phenyl-2,3-dihydro-1H-cyclopenta[b]quinoline is Clc1c2c(nc3c(-c4ccccc4)cccc13)CCC2.
What is the InChIKey of 9-chloro-5-phenyl-2,3-dihydro-1H-cyclopenta[b]quinoline?
The InChIKey is ZUKNPIACDHAILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN/c19-17-14-9-5-11-16(14)20-18-13(8-4-10-15(17)18)12-6-2-1-3-7-12/h1-4,6-8,10H,5,9,11H2.
What are the key properties of 9-chloro-5-phenyl-2,3-dihydro-1H-cyclopenta[b]quinoline?
9-chloro-5-phenyl-2,3-dihydro-1H-cyclopenta[b]quinoline has a molecular weight of 279.77 g/mol, XLogP of 5.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-5-phenyl-2,3-dihydro-1H-cyclopenta[b]quinoline is sourced from PubChem (CID 63408824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).