2-N,7-diethyl-3-N,6-dimethyl-3,4-dihydro-1H-isoquinoline-2,3-dicarboxamide

C17H25N3O2 — CID 90977807

IUPAC2-N,7-diethyl-3-N,6-dimethyl-3,4-dihydro-1H-isoquinoline-2,3-dicarboxamide
SMILESCCNC(=O)N1Cc2cc(CC)c(C)cc2CC1C(=O)NC
InChIInChI=1S/C17H25N3O2/c1-5-12-8-14-10-20(17(22)19-6-2)15(16(21)18-4)9-13(14)7-11(12)3/h7-8,15H,5-6,9-10H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyLPZMSSRMBYASJW-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.76
Rot. Bonds3

About 2-N,7-diethyl-3-N,6-dimethyl-3,4-dihydro-1H-isoquinoline-2,3-dicarboxamide

2-N,7-diethyl-3-N,6-dimethyl-3,4-dihydro-1H-isoquinoline-2,3-dicarboxamide (PubChem CID 90977807) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-N,7-diethyl-3-N,6-dimethyl-3,4-dihydro-1H-isoquinoline-2,3-dicarboxamide.

Molecular Properties

Compound Name2-N,7-diethyl-3-N,6-dimethyl-3,4-dihydro-1H-isoquinoline-2,3-dicarboxamide
PubChem CID90977807
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-N,7-diethyl-3-N,6-dimethyl-3,4-dihydro-1H-isoquinoline-2,3-dicarboxamide
SMILESCCNC(=O)N1Cc2cc(CC)c(C)cc2CC1C(=O)NC
InChIInChI=1S/C17H25N3O2/c1-5-12-8-14-10-20(17(22)19-6-2)15(16(21)18-4)9-13(14)7-11(12)3/h7-8,15H,5-6,9-10H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyLPZMSSRMBYASJW-UHFFFAOYSA-N
XLogP1.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-N,7-diethyl-3-N,6-dimethyl-3,4-dihydro-1H-isoquinoline-2,3-dicarboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-(6-ethyl-7-methyl-2-prop-1-en-2-yl-3,4-dihydro-1H-isoquinolin-3-yl)propan-1-one
CID 91103830
(3R)-2-(ethylcarbamoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 61188864
N-[(3S)-2-(benzylcarbamoyl)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamate
CID 91895888
(3S)-2-[2-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 110208202
(3R)-2-[3-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 126418555
(3S)-2-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 10835349
tert-butyl (3S)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 18394404
[(3S)-3-(ethylcarbamoyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfamic acid
CID 11165472
(3R)-2-[2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 126417370
(3R)-2-[2-[(4S)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]acetyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 126418428
7-tert-butyl-N,2-dimethyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 176702753
1-N-ethyl-4-[2-(1H-indol-3-yl)ethyl]-2-N-methylpiperazine-1,2-dicarboxamide
CID 24733059

Frequently Asked Questions

What is the IUPAC name of 2-N,7-diethyl-3-N,6-dimethyl-3,4-dihydro-1H-isoquinoline-2,3-dicarboxamide?
The IUPAC name of 2-N,7-diethyl-3-N,6-dimethyl-3,4-dihydro-1H-isoquinoline-2,3-dicarboxamide (CID 90977807) is 2-N,7-diethyl-3-N,6-dimethyl-3,4-dihydro-1H-isoquinoline-2,3-dicarboxamide.
What is the SMILES notation for 2-N,7-diethyl-3-N,6-dimethyl-3,4-dihydro-1H-isoquinoline-2,3-dicarboxamide?
The canonical SMILES for 2-N,7-diethyl-3-N,6-dimethyl-3,4-dihydro-1H-isoquinoline-2,3-dicarboxamide is CCNC(=O)N1Cc2cc(CC)c(C)cc2CC1C(=O)NC.
What is the InChIKey of 2-N,7-diethyl-3-N,6-dimethyl-3,4-dihydro-1H-isoquinoline-2,3-dicarboxamide?
The InChIKey is LPZMSSRMBYASJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-5-12-8-14-10-20(17(22)19-6-2)15(16(21)18-4)9-13(14)7-11(12)3/h7-8,15H,5-6,9-10H2,1-4H3,(H,18,21)(H,19,22).
What are the key properties of 2-N,7-diethyl-3-N,6-dimethyl-3,4-dihydro-1H-isoquinoline-2,3-dicarboxamide?
2-N,7-diethyl-3-N,6-dimethyl-3,4-dihydro-1H-isoquinoline-2,3-dicarboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-diethyl-3-N,6-dimethyl-3,4-dihydro-1H-isoquinoline-2,3-dicarboxamide is sourced from PubChem (CID 90977807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).