N-(4-chlorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride

C18H16Cl2N2 — CID 2790059

IUPACN-(4-chlorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride
SMILESCl.Clc1ccc(Nc2c3c(nc4ccccc24)CCC3)cc1
InChIInChI=1S/C18H15ClN2.ClH/c19-12-8-10-13(11-9-12)20-18-14-4-1-2-6-16(14)21-17-7-3-5-15(17)18;/h1-2,4,6,8-11H,3,5,7H2,(H,20,21);1H
InChIKeyLVXGHCHVKBSSLE-UHFFFAOYSA-N
MW331.25 g/mol
LogP5.54
Rot. Bonds2

About N-(4-chlorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride

N-(4-chlorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride (PubChem CID 2790059) has the molecular formula C18H16Cl2N2 and a molecular weight of 331.25 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride
PubChem CID2790059
Molecular FormulaC18H16Cl2N2
Molecular Weight331.25 g/mol
Exact Mass330.07
IUPAC NameN-(4-chlorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride
SMILESCl.Clc1ccc(Nc2c3c(nc4ccccc24)CCC3)cc1
InChIInChI=1S/C18H15ClN2.ClH/c19-12-8-10-13(11-9-12)20-18-14-4-1-2-6-16(14)21-17-7-3-5-15(17)18;/h1-2,4,6,8-11H,3,5,7H2,(H,20,21);1H
InChIKeyLVXGHCHVKBSSLE-UHFFFAOYSA-N
XLogP5.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.25
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride?
The IUPAC name of N-(4-chlorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride (CID 2790059) is N-(4-chlorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride.
What is the SMILES notation for N-(4-chlorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride?
The canonical SMILES for N-(4-chlorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride is Cl.Clc1ccc(Nc2c3c(nc4ccccc24)CCC3)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride?
The InChIKey is LVXGHCHVKBSSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2.ClH/c19-12-8-10-13(11-9-12)20-18-14-4-1-2-6-16(14)21-17-7-3-5-15(17)18;/h1-2,4,6,8-11H,3,5,7H2,(H,20,21);1H.
What are the key properties of N-(4-chlorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride?
N-(4-chlorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride has a molecular weight of 331.25 g/mol, XLogP of 5.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride is sourced from PubChem (CID 2790059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).