N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline-4-carboxamide

C26H23N3O — CID 117090539

IUPACN-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline-4-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(N2CCc3ccccc3C2)nc2ccccc12
InChIInChI=1S/C26H23N3O/c30-26(27-17-19-8-2-1-3-9-19)23-16-25(28-24-13-7-6-12-22(23)24)29-15-14-20-10-4-5-11-21(20)18-29/h1-13,16H,14-15,17-18H2,(H,27,30)
InChIKeyGPSPUKPBRHFCQM-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.73
Rot. Bonds4

About N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline-4-carboxamide

N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline-4-carboxamide (PubChem CID 117090539) has the molecular formula C26H23N3O and a molecular weight of 393.49 g/mol. Its IUPAC name is N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline-4-carboxamide
PubChem CID117090539
Molecular FormulaC26H23N3O
Molecular Weight393.49 g/mol
Exact Mass393.18
IUPAC NameN-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline-4-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(N2CCc3ccccc3C2)nc2ccccc12
InChIInChI=1S/C26H23N3O/c30-26(27-17-19-8-2-1-3-9-19)23-16-25(28-24-13-7-6-12-22(23)24)29-15-14-20-10-4-5-11-21(20)18-29/h1-13,16H,14-15,17-18H2,(H,27,30)
InChIKeyGPSPUKPBRHFCQM-UHFFFAOYSA-N
XLogP4.73
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylphenyl)methyl]-2-(4-oxopiperidin-1-yl)quinoline-4-carboxamide
CID 156633574
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-phenylbutyl)quinoline-4-carboxamide
CID 46091074
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 46090825
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-fluorophenyl)methyl]quinoline-4-carboxamide
CID 46091069
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-ethoxyphenyl)methyl]quinoline-4-carboxamide
CID 46090954
N-benzyl-2-(4-morpholin-4-ylpiperidin-1-yl)quinoline-4-carboxamide
CID 117089548
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide
CID 46091024
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2R)-2-ethylhexyl]quinoline-4-carboxamide
CID 92772039
N-[2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylamino]-2-oxoethyl]-2-phenylacetamide
CID 55858511
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368619
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109119535
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 84571049

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline-4-carboxamide (CID 117090539) is N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline-4-carboxamide is O=C(NCc1ccccc1)c1cc(N2CCc3ccccc3C2)nc2ccccc12.
What is the InChIKey of N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline-4-carboxamide?
The InChIKey is GPSPUKPBRHFCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O/c30-26(27-17-19-8-2-1-3-9-19)23-16-25(28-24-13-7-6-12-22(23)24)29-15-14-20-10-4-5-11-21(20)18-29/h1-13,16H,14-15,17-18H2,(H,27,30).
What are the key properties of N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline-4-carboxamide?
N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline-4-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 117090539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).