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

C18H17N3 — CID 18326759

IUPAC4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-amine
SMILESNc1cc(N2CCc3ccccc3C2)c2ccccc2n1
InChIInChI=1S/C18H17N3/c19-18-11-17(15-7-3-4-8-16(15)20-18)21-10-9-13-5-1-2-6-14(13)12-21/h1-8,11H,9-10,12H2,(H2,19,20)
InChIKeyZWZCUJOGAOTAMB-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.38
Rot. Bonds1

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

4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-amine (PubChem CID 18326759) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-amine
PubChem CID18326759
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-amine
SMILESNc1cc(N2CCc3ccccc3C2)c2ccccc2n1
InChIInChI=1S/C18H17N3/c19-18-11-17(15-7-3-4-8-16(15)20-18)21-10-9-13-5-1-2-6-14(13)12-21/h1-8,11H,9-10,12H2,(H2,19,20)
InChIKeyZWZCUJOGAOTAMB-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

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Related Compounds

4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-2-amine
CID 80749587
(2S)-1-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-yl]amino]propan-2-ol
CID 15895263
4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylquinoline-7-carboxylic acid
CID 7138050
6-(3,4-dihydro-1H-isoquinolin-2-yl)quinazoline-2,4-diamine
CID 90680235
4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrrolidin-1-ylquinazoline
CID 68722852
2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-fluoroaniline
CID 62375892
5-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine
CID 80652373
2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-amine
CID 133422406
4-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine
CID 1484265
4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-iodoaniline
CID 66093315
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-4-amine
CID 98468291
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylquinazolin-4-amine
CID 71690567

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-amine?
The IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-amine (CID 18326759) is 4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-amine.
What is the SMILES notation for 4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-amine?
The canonical SMILES for 4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-amine is Nc1cc(N2CCc3ccccc3C2)c2ccccc2n1.
What is the InChIKey of 4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-amine?
The InChIKey is ZWZCUJOGAOTAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c19-18-11-17(15-7-3-4-8-16(15)20-18)21-10-9-13-5-1-2-6-14(13)12-21/h1-8,11H,9-10,12H2,(H2,19,20).
What are the key properties of 4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-amine?
4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-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 4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-amine is sourced from PubChem (CID 18326759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).