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

C19H16ClN — CID 63408868

IUPAC5-benzyl-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline
SMILESClc1c2c(nc3c(Cc4ccccc4)cccc13)CCC2
InChIInChI=1S/C19H16ClN/c20-18-15-9-5-11-17(15)21-19-14(8-4-10-16(18)19)12-13-6-2-1-3-7-13/h1-4,6-8,10H,5,9,11-12H2
InChIKeyICHDDMHNLMNGTF-UHFFFAOYSA-N
MW293.80 g/mol
LogP4.97
Rot. Bonds2

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

5-benzyl-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline (PubChem CID 63408868) has the molecular formula C19H16ClN and a molecular weight of 293.80 g/mol. Its IUPAC name is 5-benzyl-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline.

Molecular Properties

Compound Name5-benzyl-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline
PubChem CID63408868
Molecular FormulaC19H16ClN
Molecular Weight293.80 g/mol
Exact Mass293.10
IUPAC Name5-benzyl-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline
SMILESClc1c2c(nc3c(Cc4ccccc4)cccc13)CCC2
InChIInChI=1S/C19H16ClN/c20-18-15-9-5-11-17(15)21-19-14(8-4-10-16(18)19)12-13-6-2-1-3-7-13/h1-4,6-8,10H,5,9,11-12H2
InChIKeyICHDDMHNLMNGTF-UHFFFAOYSA-N
XLogP4.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

11-chloro-4-(methoxymethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
CID 63351322
9-chloro-5-phenyl-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 63408824
11-chloro-4-(2-methoxyethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
CID 102907667
5-bromo-9-chloro-1,2,3,4-tetrahydroacridine
CID 63408990
9-chloro-5-ethoxy-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 61381987
8-benzyl-4-chloro-2-ethyl-3-methylquinoline
CID 63561857
11-chloro-17-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),8,11,16-pentaene
CID 55186181
9-(chloromethyl)-5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 82450114
3-benzyl-9-chloro-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
CID 82274804
8-benzyl-4-chloroquinazoline
CID 113452546
(5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanamine
CID 82449993
5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonitrile
CID 82450100

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline?
The IUPAC name of 5-benzyl-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline (CID 63408868) is 5-benzyl-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline.
What is the SMILES notation for 5-benzyl-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline?
The canonical SMILES for 5-benzyl-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline is Clc1c2c(nc3c(Cc4ccccc4)cccc13)CCC2.
What is the InChIKey of 5-benzyl-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline?
The InChIKey is ICHDDMHNLMNGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN/c20-18-15-9-5-11-17(15)21-19-14(8-4-10-16(18)19)12-13-6-2-1-3-7-13/h1-4,6-8,10H,5,9,11-12H2.
What are the key properties of 5-benzyl-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline?
5-benzyl-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline has a molecular weight of 293.80 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline is sourced from PubChem (CID 63408868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).