4-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylamino]quinoline-3-carbonitrile

C25H21N5 — CID 133318431

IUPAC4-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylamino]quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1NCc1ccc(N2CCc3ccccc3C2)nc1
InChIInChI=1S/C25H21N5/c26-13-21-16-27-23-8-4-3-7-22(23)25(21)29-15-18-9-10-24(28-14-18)30-12-11-19-5-1-2-6-20(19)17-30/h1-10,14,16H,11-12,15,17H2,(H,27,29)
InChIKeyIYMKBGKKBOUSGS-UHFFFAOYSA-N
MW391.48 g/mol
LogP4.68
Rot. Bonds4

About 4-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylamino]quinoline-3-carbonitrile

4-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylamino]quinoline-3-carbonitrile (PubChem CID 133318431) has the molecular formula C25H21N5 and a molecular weight of 391.48 g/mol. Its IUPAC name is 4-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylamino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylamino]quinoline-3-carbonitrile
PubChem CID133318431
Molecular FormulaC25H21N5
Molecular Weight391.48 g/mol
Exact Mass391.18
IUPAC Name4-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylamino]quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1NCc1ccc(N2CCc3ccccc3C2)nc1
InChIInChI=1S/C25H21N5/c26-13-21-16-27-23-8-4-3-7-22(23)25(21)29-15-18-9-10-24(28-14-18)30-12-11-19-5-1-2-6-20(19)17-30/h1-10,14,16H,11-12,15,17H2,(H,27,29)
InChIKeyIYMKBGKKBOUSGS-UHFFFAOYSA-N
XLogP4.68
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylamino]quinoline-3-carbonitrile with MolForge

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Related Compounds

4-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylamino]quinoline-2-carbonitrile
CID 133318419
4-[[4-(methoxymethyl)phenyl]methylamino]quinoline-3-carbonitrile
CID 133310634
4-[(4-methoxyphenyl)methylamino]quinoline-3-carbonitrile
CID 78885590
N-[2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylamino]-2-oxoethyl]-2-phenylacetamide
CID 55858511
4-[[4-(methylsulfonylmethyl)phenyl]methylamino]quinoline-3-carbonitrile
CID 133319712
2-(4-chlorophenoxy)-N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]acetamide
CID 55801034
4-[(5-methylpyrazin-2-yl)methylamino]quinoline-3-carbonitrile
CID 62846842
N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-4-methylsulfanylbenzamide
CID 78890746
4-(1,3-thiazol-4-ylmethylamino)quinoline-3-carbonitrile
CID 55258412
3-amino-N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrazine-2-carboxamide
CID 47059036
1-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-3-(pyrimidin-2-ylamino)urea
CID 87005106
4-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile
CID 43668942

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylamino]quinoline-3-carbonitrile?
The IUPAC name of 4-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylamino]quinoline-3-carbonitrile (CID 133318431) is 4-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylamino]quinoline-3-carbonitrile.
What is the SMILES notation for 4-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylamino]quinoline-3-carbonitrile?
The canonical SMILES for 4-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylamino]quinoline-3-carbonitrile is N#Cc1cnc2ccccc2c1NCc1ccc(N2CCc3ccccc3C2)nc1.
What is the InChIKey of 4-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylamino]quinoline-3-carbonitrile?
The InChIKey is IYMKBGKKBOUSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5/c26-13-21-16-27-23-8-4-3-7-22(23)25(21)29-15-18-9-10-24(28-14-18)30-12-11-19-5-1-2-6-20(19)17-30/h1-10,14,16H,11-12,15,17H2,(H,27,29).
What are the key properties of 4-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylamino]quinoline-3-carbonitrile?
4-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylamino]quinoline-3-carbonitrile has a molecular weight of 391.48 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylamino]quinoline-3-carbonitrile is sourced from PubChem (CID 133318431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).