N,N-dimethyl-1-[2-(4-propoxyphenyl)quinolin-4-yl]oxypropan-2-amine;hydrochloride

C23H29ClN2O2 — CID 71734398

IUPACN,N-dimethyl-1-[2-(4-propoxyphenyl)quinolin-4-yl]oxypropan-2-amine;hydrochloride
SMILESCCCOc1ccc(-c2cc(OCC(C)N(C)C)c3ccccc3n2)cc1.Cl
InChIInChI=1S/C23H28N2O2.ClH/c1-5-14-26-19-12-10-18(11-13-19)22-15-23(27-16-17(2)25(3)4)20-8-6-7-9-21(20)24-22;/h6-13,15,17H,5,14,16H2,1-4H3;1H
InChIKeyXWQPEXKGPORFSO-UHFFFAOYSA-N
MW400.95 g/mol
LogP5.44
Rot. Bonds8

About N,N-dimethyl-1-[2-(4-propoxyphenyl)quinolin-4-yl]oxypropan-2-amine;hydrochloride

N,N-dimethyl-1-[2-(4-propoxyphenyl)quinolin-4-yl]oxypropan-2-amine;hydrochloride (PubChem CID 71734398) has the molecular formula C23H29ClN2O2 and a molecular weight of 400.95 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-(4-propoxyphenyl)quinolin-4-yl]oxypropan-2-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-(4-propoxyphenyl)quinolin-4-yl]oxypropan-2-amine;hydrochloride
PubChem CID71734398
Molecular FormulaC23H29ClN2O2
Molecular Weight400.95 g/mol
Exact Mass400.19
IUPAC NameN,N-dimethyl-1-[2-(4-propoxyphenyl)quinolin-4-yl]oxypropan-2-amine;hydrochloride
SMILESCCCOc1ccc(-c2cc(OCC(C)N(C)C)c3ccccc3n2)cc1.Cl
InChIInChI=1S/C23H28N2O2.ClH/c1-5-14-26-19-12-10-18(11-13-19)22-15-23(27-16-17(2)25(3)4)20-8-6-7-9-21(20)24-22;/h6-13,15,17H,5,14,16H2,1-4H3;1H
InChIKeyXWQPEXKGPORFSO-UHFFFAOYSA-N
XLogP5.44
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.95
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Quinisocaine
CID 6857
Dimethisoquin Hydrochloride
CID 9883104
alpha-Pentyl-3-(2-quinolinylmethoxy)benzenemethanol
CID 5059
6-Methoxy-1,2,3,4-tetrahydroacridin-9-amine
CID 3075610
9-Acridinamine, 1,2,3,4-tetrahydro-N-heptyl-6-methoxy-
CID 3075611
9-Methoxyacridine
CID 99383
2-(4-Methoxyphenyl)quinoline
CID 1481967
2,3-Di(4-methoxyphenyl)quinoxaline
CID 81660
4-Methoxy-2-Phenylquinoline
CID 826247
1-Acridinol, 1,2,3,4-tetrahydro-9-(((4-methoxyphenyl)methyl)amino)-
CID 3025618
1-Acridinol, 1,2,3,4-tetrahydro-9-((3-phenoxypropyl)amino)-
CID 3025629
7-Benzyloxyquinoline
CID 3035604

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-(4-propoxyphenyl)quinolin-4-yl]oxypropan-2-amine;hydrochloride?
The IUPAC name of N,N-dimethyl-1-[2-(4-propoxyphenyl)quinolin-4-yl]oxypropan-2-amine;hydrochloride (CID 71734398) is N,N-dimethyl-1-[2-(4-propoxyphenyl)quinolin-4-yl]oxypropan-2-amine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-1-[2-(4-propoxyphenyl)quinolin-4-yl]oxypropan-2-amine;hydrochloride?
The canonical SMILES for N,N-dimethyl-1-[2-(4-propoxyphenyl)quinolin-4-yl]oxypropan-2-amine;hydrochloride is CCCOc1ccc(-c2cc(OCC(C)N(C)C)c3ccccc3n2)cc1.Cl.
What is the InChIKey of N,N-dimethyl-1-[2-(4-propoxyphenyl)quinolin-4-yl]oxypropan-2-amine;hydrochloride?
The InChIKey is XWQPEXKGPORFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2.ClH/c1-5-14-26-19-12-10-18(11-13-19)22-15-23(27-16-17(2)25(3)4)20-8-6-7-9-21(20)24-22;/h6-13,15,17H,5,14,16H2,1-4H3;1H.
What are the key properties of N,N-dimethyl-1-[2-(4-propoxyphenyl)quinolin-4-yl]oxypropan-2-amine;hydrochloride?
N,N-dimethyl-1-[2-(4-propoxyphenyl)quinolin-4-yl]oxypropan-2-amine;hydrochloride has a molecular weight of 400.95 g/mol, XLogP of 5.44, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-(4-propoxyphenyl)quinolin-4-yl]oxypropan-2-amine;hydrochloride is sourced from PubChem (CID 71734398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).