4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)quinolin-3-amine

C18H23N3 — CID 103962920

IUPAC4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)quinolin-3-amine
SMILESNc1cnc2ccccc2c1N1CCC2CCCCC2C1
InChIInChI=1S/C18H23N3/c19-16-11-20-17-8-4-3-7-15(17)18(16)21-10-9-13-5-1-2-6-14(13)12-21/h3-4,7-8,11,13-14H,1-2,5-6,9-10,12,19H2
InChIKeyIIDRSEUKCVOGCQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.83
Rot. Bonds1

About 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)quinolin-3-amine

4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)quinolin-3-amine (PubChem CID 103962920) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)quinolin-3-amine.

Molecular Properties

Compound Name4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)quinolin-3-amine
PubChem CID103962920
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)quinolin-3-amine
SMILESNc1cnc2ccccc2c1N1CCC2CCCCC2C1
InChIInChI=1S/C18H23N3/c19-16-11-20-17-8-4-3-7-15(17)18(16)21-10-9-13-5-1-2-6-14(13)12-21/h3-4,7-8,11,13-14H,1-2,5-6,9-10,12,19H2
InChIKeyIIDRSEUKCVOGCQ-UHFFFAOYSA-N
XLogP3.83
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)quinolin-3-amine with MolForge

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Related Compounds

4-[3-(methoxymethyl)pyrrolidin-1-yl]quinolin-3-amine
CID 103963369
4-[3-(diethylamino)pyrrolidin-1-yl]quinolin-3-amine
CID 103963279
4-(3-propoxypiperidin-1-yl)quinolin-3-amine
CID 103963084
1-(3-aminoquinolin-4-yl)-4-methylazepan-4-ol
CID 107403747
4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)quinolin-3-amine
CID 103963511
1-(3-aminoquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 103962898
4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)quinolin-3-amine
CID 103963370
4-N-cyclohexylquinoline-3,4-diamine
CID 103962725
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)aniline
CID 43620189
4-cyclobutyloxyquinolin-3-amine
CID 103963709
6-bromo-4-(3-methoxypyrrolidin-1-yl)quinolin-3-amine
CID 103530492
4-(1,2,4-triazol-1-yl)quinolin-3-amine
CID 103963559

Frequently Asked Questions

What is the IUPAC name of 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)quinolin-3-amine?
The IUPAC name of 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)quinolin-3-amine (CID 103962920) is 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)quinolin-3-amine.
What is the SMILES notation for 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)quinolin-3-amine?
The canonical SMILES for 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)quinolin-3-amine is Nc1cnc2ccccc2c1N1CCC2CCCCC2C1.
What is the InChIKey of 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)quinolin-3-amine?
The InChIKey is IIDRSEUKCVOGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c19-16-11-20-17-8-4-3-7-15(17)18(16)21-10-9-13-5-1-2-6-14(13)12-21/h3-4,7-8,11,13-14H,1-2,5-6,9-10,12,19H2.
What are the key properties of 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)quinolin-3-amine?
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)quinolin-3-amine has a molecular weight of 281.40 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)quinolin-3-amine is sourced from PubChem (CID 103962920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).