(2S)-1-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-yl]amino]propan-2-ol

C21H23N3O — CID 15895263

IUPAC(2S)-1-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-yl]amino]propan-2-ol
SMILESC[C@H](O)CNc1cc(N2CCc3ccccc3C2)c2ccccc2n1
InChIInChI=1S/C21H23N3O/c1-15(25)13-22-21-12-20(18-8-4-5-9-19(18)23-21)24-11-10-16-6-2-3-7-17(16)14-24/h2-9,12,15,25H,10-11,13-14H2,1H3,(H,22,23)/t15-/m0/s1
InChIKeyQLWNJDJXRLRDEF-HNNXBMFYSA-N
MW333.44 g/mol
LogP3.59
Rot. Bonds4

About (2S)-1-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-yl]amino]propan-2-ol

(2S)-1-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-yl]amino]propan-2-ol (PubChem CID 15895263) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is (2S)-1-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-yl]amino]propan-2-ol
PubChem CID15895263
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name(2S)-1-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-yl]amino]propan-2-ol
SMILESC[C@H](O)CNc1cc(N2CCc3ccccc3C2)c2ccccc2n1
InChIInChI=1S/C21H23N3O/c1-15(25)13-22-21-12-20(18-8-4-5-9-19(18)23-21)24-11-10-16-6-2-3-7-17(16)14-24/h2-9,12,15,25H,10-11,13-14H2,1H3,(H,22,23)/t15-/m0/s1
InChIKeyQLWNJDJXRLRDEF-HNNXBMFYSA-N
XLogP3.59
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-yl]amino]propan-2-ol with MolForge

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Related Compounds

4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-amine
CID 18326759
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)-6-phenylpyrimidin-4-amine
CID 112933735
4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylquinoline-7-carboxylic acid
CID 7138050
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pyrimidin-4-amine
CID 112883178
3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methylquinazolin-4-one
CID 47556817
4-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline-2-carbonyl]amino]-2-(4-ethoxycarbonylpiperazine-1-carbonyl)butanoic acid
CID 22017404
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 39238520
2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]amino]butan-1-ol
CID 91964156
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-2-methylpyrimidin-4-amine
CID 80767695
3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]amino]propan-1-ol
CID 50945732
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80956945
1-amino-3-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]amino]propan-2-ol;trifluoromethyl acetate
CID 158540947

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-yl]amino]propan-2-ol?
The IUPAC name of (2S)-1-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-yl]amino]propan-2-ol (CID 15895263) is (2S)-1-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-yl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-yl]amino]propan-2-ol?
The canonical SMILES for (2S)-1-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-yl]amino]propan-2-ol is C[C@H](O)CNc1cc(N2CCc3ccccc3C2)c2ccccc2n1.
What is the InChIKey of (2S)-1-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-yl]amino]propan-2-ol?
The InChIKey is QLWNJDJXRLRDEF-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-15(25)13-22-21-12-20(18-8-4-5-9-19(18)23-21)24-11-10-16-6-2-3-7-17(16)14-24/h2-9,12,15,25H,10-11,13-14H2,1H3,(H,22,23)/t15-/m0/s1.
What are the key properties of (2S)-1-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-yl]amino]propan-2-ol?
(2S)-1-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-yl]amino]propan-2-ol has a molecular weight of 333.44 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-yl]amino]propan-2-ol is sourced from PubChem (CID 15895263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).