2-methoxy-3-methyl-N-propyl-1-quinolin-3-ylbutan-1-amine

C18H26N2O — CID 116720466

IUPAC2-methoxy-3-methyl-N-propyl-1-quinolin-3-ylbutan-1-amine
SMILESCCCNC(c1cnc2ccccc2c1)C(OC)C(C)C
InChIInChI=1S/C18H26N2O/c1-5-10-19-17(18(21-4)13(2)3)15-11-14-8-6-7-9-16(14)20-12-15/h6-9,11-13,17-19H,5,10H2,1-4H3
InChIKeyNIKATCOVICRJEL-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.95
Rot. Bonds7

About 2-methoxy-3-methyl-N-propyl-1-quinolin-3-ylbutan-1-amine

2-methoxy-3-methyl-N-propyl-1-quinolin-3-ylbutan-1-amine (PubChem CID 116720466) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-methoxy-3-methyl-N-propyl-1-quinolin-3-ylbutan-1-amine.

Molecular Properties

Compound Name2-methoxy-3-methyl-N-propyl-1-quinolin-3-ylbutan-1-amine
PubChem CID116720466
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-methoxy-3-methyl-N-propyl-1-quinolin-3-ylbutan-1-amine
SMILESCCCNC(c1cnc2ccccc2c1)C(OC)C(C)C
InChIInChI=1S/C18H26N2O/c1-5-10-19-17(18(21-4)13(2)3)15-11-14-8-6-7-9-16(14)20-12-15/h6-9,11-13,17-19H,5,10H2,1-4H3
InChIKeyNIKATCOVICRJEL-UHFFFAOYSA-N
XLogP3.95
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-3-methyl-N-propyl-1-quinolin-3-ylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-propyl-1-quinolin-3-ylpropan-1-amine
CID 54861221
2-methoxy-3-methyl-1-quinolin-3-ylbutan-1-amine
CID 116719597
2-ethoxy-N,3-dimethyl-1-quinolin-3-ylbutan-1-amine
CID 116721032
1-(1-benzofuran-2-yl)-2-methoxy-3-methyl-N-propylbutan-1-amine
CID 114731176
1-(3,4-dimethylphenyl)-2-methoxy-3-methyl-N-propylbutan-1-amine
CID 116720687
2-methoxy-1-(3-methoxyphenyl)-3-methyl-N-propylbutan-1-amine
CID 116720561
2-methoxy-3-methyl-1-(5-propan-2-yloxy-3-pyridinyl)-N-propylbutan-1-amine
CID 116720620
2-cyclopropyl-N-ethyl-2-methoxy-1-quinolin-3-ylethanamine
CID 116722411
N-[(5-bromofuran-2-yl)-quinolin-3-ylmethyl]propan-1-amine
CID 115797770
N-[3-bicyclo[3.1.0]hexanyl(quinolin-3-yl)methyl]propan-1-amine
CID 115797726
N-[quinolin-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105097727
2-methoxy-1-(2-methoxyphenyl)-3-methyl-N-propylbutan-1-amine
CID 116720529

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methyl-N-propyl-1-quinolin-3-ylbutan-1-amine?
The IUPAC name of 2-methoxy-3-methyl-N-propyl-1-quinolin-3-ylbutan-1-amine (CID 116720466) is 2-methoxy-3-methyl-N-propyl-1-quinolin-3-ylbutan-1-amine.
What is the SMILES notation for 2-methoxy-3-methyl-N-propyl-1-quinolin-3-ylbutan-1-amine?
The canonical SMILES for 2-methoxy-3-methyl-N-propyl-1-quinolin-3-ylbutan-1-amine is CCCNC(c1cnc2ccccc2c1)C(OC)C(C)C.
What is the InChIKey of 2-methoxy-3-methyl-N-propyl-1-quinolin-3-ylbutan-1-amine?
The InChIKey is NIKATCOVICRJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-5-10-19-17(18(21-4)13(2)3)15-11-14-8-6-7-9-16(14)20-12-15/h6-9,11-13,17-19H,5,10H2,1-4H3.
What are the key properties of 2-methoxy-3-methyl-N-propyl-1-quinolin-3-ylbutan-1-amine?
2-methoxy-3-methyl-N-propyl-1-quinolin-3-ylbutan-1-amine has a molecular weight of 286.42 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methyl-N-propyl-1-quinolin-3-ylbutan-1-amine is sourced from PubChem (CID 116720466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).