1-(2,7-dimethoxyquinolin-3-yl)butan-2-amine;hydrochloride

C15H21ClN2O2 — CID 170890664

IUPAC1-(2,7-dimethoxyquinolin-3-yl)butan-2-amine;hydrochloride
SMILESCCC(N)Cc1cc2ccc(OC)cc2nc1OC.Cl
InChIInChI=1S/C15H20N2O2.ClH/c1-4-12(16)8-11-7-10-5-6-13(18-2)9-14(10)17-15(11)19-3;/h5-7,9,12H,4,8,16H2,1-3H3;1H
InChIKeyQAZUEXNIGOHPRE-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.95
Rot. Bonds5

About 1-(2,7-dimethoxyquinolin-3-yl)butan-2-amine;hydrochloride

1-(2,7-dimethoxyquinolin-3-yl)butan-2-amine;hydrochloride (PubChem CID 170890664) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-(2,7-dimethoxyquinolin-3-yl)butan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(2,7-dimethoxyquinolin-3-yl)butan-2-amine;hydrochloride
PubChem CID170890664
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name1-(2,7-dimethoxyquinolin-3-yl)butan-2-amine;hydrochloride
SMILESCCC(N)Cc1cc2ccc(OC)cc2nc1OC.Cl
InChIInChI=1S/C15H20N2O2.ClH/c1-4-12(16)8-11-7-10-5-6-13(18-2)9-14(10)17-15(11)19-3;/h5-7,9,12H,4,8,16H2,1-3H3;1H
InChIKeyQAZUEXNIGOHPRE-UHFFFAOYSA-N
XLogP2.95
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,7-dimethoxyquinolin-3-yl)butan-2-amine;hydrochloride?
The IUPAC name of 1-(2,7-dimethoxyquinolin-3-yl)butan-2-amine;hydrochloride (CID 170890664) is 1-(2,7-dimethoxyquinolin-3-yl)butan-2-amine;hydrochloride.
What is the SMILES notation for 1-(2,7-dimethoxyquinolin-3-yl)butan-2-amine;hydrochloride?
The canonical SMILES for 1-(2,7-dimethoxyquinolin-3-yl)butan-2-amine;hydrochloride is CCC(N)Cc1cc2ccc(OC)cc2nc1OC.Cl.
What is the InChIKey of 1-(2,7-dimethoxyquinolin-3-yl)butan-2-amine;hydrochloride?
The InChIKey is QAZUEXNIGOHPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2.ClH/c1-4-12(16)8-11-7-10-5-6-13(18-2)9-14(10)17-15(11)19-3;/h5-7,9,12H,4,8,16H2,1-3H3;1H.
What are the key properties of 1-(2,7-dimethoxyquinolin-3-yl)butan-2-amine;hydrochloride?
1-(2,7-dimethoxyquinolin-3-yl)butan-2-amine;hydrochloride has a molecular weight of 296.80 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,7-dimethoxyquinolin-3-yl)butan-2-amine;hydrochloride is sourced from PubChem (CID 170890664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).