4-[(3,4-dichlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine

C19H20Cl2N2 — CID 3240640

IUPAC4-[(3,4-dichlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine
SMILES[H]/N=c1/c2c(n(Cc3ccc(Cl)c(Cl)c3)c3c1CCC3)CCCC2
InChIInChI=1S/C19H20Cl2N2/c20-15-9-8-12(10-16(15)21)11-23-17-6-2-1-4-13(17)19(22)14-5-3-7-18(14)23/h8-10,22H,1-7,11H2/b22-19-
InChIKeyQFVMLXCCDCNYCS-QOCHGBHMSA-N
MW347.29 g/mol
LogP4.69
Rot. Bonds2

About 4-[(3,4-dichlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine

4-[(3,4-dichlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine (PubChem CID 3240640) has the molecular formula C19H20Cl2N2 and a molecular weight of 347.29 g/mol. Its IUPAC name is 4-[(3,4-dichlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine.

Molecular Properties

Compound Name4-[(3,4-dichlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine
PubChem CID3240640
Molecular FormulaC19H20Cl2N2
Molecular Weight347.29 g/mol
Exact Mass346.10
IUPAC Name4-[(3,4-dichlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine
SMILES[H]/N=c1/c2c(n(Cc3ccc(Cl)c(Cl)c3)c3c1CCC3)CCCC2
InChIInChI=1S/C19H20Cl2N2/c20-15-9-8-12(10-16(15)21)11-23-17-6-2-1-4-13(17)19(22)14-5-3-7-18(14)23/h8-10,22H,1-7,11H2/b22-19-
InChIKeyQFVMLXCCDCNYCS-QOCHGBHMSA-N
XLogP4.69
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.29
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(3,4-dichlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dichlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine?
The IUPAC name of 4-[(3,4-dichlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine (CID 3240640) is 4-[(3,4-dichlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine.
What is the SMILES notation for 4-[(3,4-dichlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine?
The canonical SMILES for 4-[(3,4-dichlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine is [H]/N=c1/c2c(n(Cc3ccc(Cl)c(Cl)c3)c3c1CCC3)CCCC2.
What is the InChIKey of 4-[(3,4-dichlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine?
The InChIKey is QFVMLXCCDCNYCS-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H20Cl2N2/c20-15-9-8-12(10-16(15)21)11-23-17-6-2-1-4-13(17)19(22)14-5-3-7-18(14)23/h8-10,22H,1-7,11H2/b22-19-.
What are the key properties of 4-[(3,4-dichlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine?
4-[(3,4-dichlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine has a molecular weight of 347.29 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dichlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-imine is sourced from PubChem (CID 3240640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).