2-quinolin-4-yl-3,4-dihydro-1H-isoquinolin-8-amine

C18H17N3 — CID 114524293

IUPAC2-quinolin-4-yl-3,4-dihydro-1H-isoquinolin-8-amine
SMILESNc1cccc2c1CN(c1ccnc3ccccc13)CC2
InChIInChI=1S/C18H17N3/c19-16-6-3-4-13-9-11-21(12-15(13)16)18-8-10-20-17-7-2-1-5-14(17)18/h1-8,10H,9,11-12,19H2
InChIKeyVCDBDIGNHSBCOC-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.38
Rot. Bonds1

About 2-quinolin-4-yl-3,4-dihydro-1H-isoquinolin-8-amine

2-quinolin-4-yl-3,4-dihydro-1H-isoquinolin-8-amine (PubChem CID 114524293) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-quinolin-4-yl-3,4-dihydro-1H-isoquinolin-8-amine.

Molecular Properties

Compound Name2-quinolin-4-yl-3,4-dihydro-1H-isoquinolin-8-amine
PubChem CID114524293
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name2-quinolin-4-yl-3,4-dihydro-1H-isoquinolin-8-amine
SMILESNc1cccc2c1CN(c1ccnc3ccccc13)CC2
InChIInChI=1S/C18H17N3/c19-16-6-3-4-13-9-11-21(12-15(13)16)18-8-10-20-17-7-2-1-5-14(17)18/h1-8,10H,9,11-12,19H2
InChIKeyVCDBDIGNHSBCOC-UHFFFAOYSA-N
XLogP3.38
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

1-quinolin-4-ylpiperidin-4-one
CID 22000285
2-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524548
4-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carbonitrile
CID 114524411
2-(3-nitro-4-pyridinyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524482
4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-amine
CID 18326759
2-thieno[3,2-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524521
2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524381
2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-6-bromobenzonitrile
CID 114885032
2-(6-ethylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524429
2-(5-methoxy-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 106504531
2-(4-quinolin-4-ylpiperazin-1-yl)ethanamine
CID 61340442
2-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524501

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-4-yl-3,4-dihydro-1H-isoquinolin-8-amine?
The IUPAC name of 2-quinolin-4-yl-3,4-dihydro-1H-isoquinolin-8-amine (CID 114524293) is 2-quinolin-4-yl-3,4-dihydro-1H-isoquinolin-8-amine.
What is the SMILES notation for 2-quinolin-4-yl-3,4-dihydro-1H-isoquinolin-8-amine?
The canonical SMILES for 2-quinolin-4-yl-3,4-dihydro-1H-isoquinolin-8-amine is Nc1cccc2c1CN(c1ccnc3ccccc13)CC2.
What is the InChIKey of 2-quinolin-4-yl-3,4-dihydro-1H-isoquinolin-8-amine?
The InChIKey is VCDBDIGNHSBCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c19-16-6-3-4-13-9-11-21(12-15(13)16)18-8-10-20-17-7-2-1-5-14(17)18/h1-8,10H,9,11-12,19H2.
What are the key properties of 2-quinolin-4-yl-3,4-dihydro-1H-isoquinolin-8-amine?
2-quinolin-4-yl-3,4-dihydro-1H-isoquinolin-8-amine has a molecular weight of 275.36 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-4-yl-3,4-dihydro-1H-isoquinolin-8-amine is sourced from PubChem (CID 114524293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).