N-benzyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride

C19H19ClN2 — CID 2790042

IUPACN-benzyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride
SMILESCl.c1ccc(CNc2c3c(nc4ccccc24)CCC3)cc1
InChIInChI=1S/C19H18N2.ClH/c1-2-7-14(8-3-1)13-20-19-15-9-4-5-11-17(15)21-18-12-6-10-16(18)19;/h1-5,7-9,11H,6,10,12-13H2,(H,20,21);1H
InChIKeyPSKIIECTASAWSH-UHFFFAOYSA-N
MW310.83 g/mol
LogP4.76
Rot. Bonds3

About N-benzyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride

N-benzyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride (PubChem CID 2790042) has the molecular formula C19H19ClN2 and a molecular weight of 310.83 g/mol. Its IUPAC name is N-benzyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride.

Molecular Properties

Compound NameN-benzyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride
PubChem CID2790042
Molecular FormulaC19H19ClN2
Molecular Weight310.83 g/mol
Exact Mass310.12
IUPAC NameN-benzyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride
SMILESCl.c1ccc(CNc2c3c(nc4ccccc24)CCC3)cc1
InChIInChI=1S/C19H18N2.ClH/c1-2-7-14(8-3-1)13-20-19-15-9-4-5-11-17(15)21-18-12-6-10-16(18)19;/h1-5,7-9,11H,6,10,12-13H2,(H,20,21);1H
InChIKeyPSKIIECTASAWSH-UHFFFAOYSA-N
XLogP4.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride?
The IUPAC name of N-benzyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride (CID 2790042) is N-benzyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride.
What is the SMILES notation for N-benzyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride?
The canonical SMILES for N-benzyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride is Cl.c1ccc(CNc2c3c(nc4ccccc24)CCC3)cc1.
What is the InChIKey of N-benzyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride?
The InChIKey is PSKIIECTASAWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2.ClH/c1-2-7-14(8-3-1)13-20-19-15-9-4-5-11-17(15)21-18-12-6-10-16(18)19;/h1-5,7-9,11H,6,10,12-13H2,(H,20,21);1H.
What are the key properties of N-benzyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride?
N-benzyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride has a molecular weight of 310.83 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;hydrochloride is sourced from PubChem (CID 2790042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).