7-(2,3-dihydro-1H-isoindol-4-yl)-4-methylquinolin-2-amine;dihydrochloride

C18H19Cl2N3 — CID 155527878

IUPAC7-(2,3-dihydro-1H-isoindol-4-yl)-4-methylquinolin-2-amine;dihydrochloride
SMILESCc1cc(N)nc2cc(-c3cccc4c3CNC4)ccc12.Cl.Cl
InChIInChI=1S/C18H17N3.2ClH/c1-11-7-18(19)21-17-8-12(5-6-14(11)17)15-4-2-3-13-9-20-10-16(13)15;;/h2-8,20H,9-10H2,1H3,(H2,19,21);2*1H
InChIKeyCYZBUGCELOCSLB-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.24
Rot. Bonds1

About 7-(2,3-dihydro-1H-isoindol-4-yl)-4-methylquinolin-2-amine;dihydrochloride

7-(2,3-dihydro-1H-isoindol-4-yl)-4-methylquinolin-2-amine;dihydrochloride (PubChem CID 155527878) has the molecular formula C18H19Cl2N3 and a molecular weight of 348.28 g/mol. Its IUPAC name is 7-(2,3-dihydro-1H-isoindol-4-yl)-4-methylquinolin-2-amine;dihydrochloride.

Molecular Properties

Compound Name7-(2,3-dihydro-1H-isoindol-4-yl)-4-methylquinolin-2-amine;dihydrochloride
PubChem CID155527878
Molecular FormulaC18H19Cl2N3
Molecular Weight348.28 g/mol
Exact Mass347.10
IUPAC Name7-(2,3-dihydro-1H-isoindol-4-yl)-4-methylquinolin-2-amine;dihydrochloride
SMILESCc1cc(N)nc2cc(-c3cccc4c3CNC4)ccc12.Cl.Cl
InChIInChI=1S/C18H17N3.2ClH/c1-11-7-18(19)21-17-8-12(5-6-14(11)17)15-4-2-3-13-9-20-10-16(13)15;;/h2-8,20H,9-10H2,1H3,(H2,19,21);2*1H
InChIKeyCYZBUGCELOCSLB-UHFFFAOYSA-N
XLogP4.24
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dihydro-1H-isoindol-4-yl)-4-methylquinolin-2-amine;dihydrochloride?
The IUPAC name of 7-(2,3-dihydro-1H-isoindol-4-yl)-4-methylquinolin-2-amine;dihydrochloride (CID 155527878) is 7-(2,3-dihydro-1H-isoindol-4-yl)-4-methylquinolin-2-amine;dihydrochloride.
What is the SMILES notation for 7-(2,3-dihydro-1H-isoindol-4-yl)-4-methylquinolin-2-amine;dihydrochloride?
The canonical SMILES for 7-(2,3-dihydro-1H-isoindol-4-yl)-4-methylquinolin-2-amine;dihydrochloride is Cc1cc(N)nc2cc(-c3cccc4c3CNC4)ccc12.Cl.Cl.
What is the InChIKey of 7-(2,3-dihydro-1H-isoindol-4-yl)-4-methylquinolin-2-amine;dihydrochloride?
The InChIKey is CYZBUGCELOCSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3.2ClH/c1-11-7-18(19)21-17-8-12(5-6-14(11)17)15-4-2-3-13-9-20-10-16(13)15;;/h2-8,20H,9-10H2,1H3,(H2,19,21);2*1H.
What are the key properties of 7-(2,3-dihydro-1H-isoindol-4-yl)-4-methylquinolin-2-amine;dihydrochloride?
7-(2,3-dihydro-1H-isoindol-4-yl)-4-methylquinolin-2-amine;dihydrochloride has a molecular weight of 348.28 g/mol, XLogP of 4.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dihydro-1H-isoindol-4-yl)-4-methylquinolin-2-amine;dihydrochloride is sourced from PubChem (CID 155527878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).