2-ethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide

C12H16N2O — CID 173135351

IUPAC2-ethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
SMILESCCN1CCc2ccccc2C1C(N)=O
InChIInChI=1S/C12H16N2O/c1-2-14-8-7-9-5-3-4-6-10(9)11(14)12(13)15/h3-6,11H,2,7-8H2,1H3,(H2,13,15)
InChIKeyDFUGOMICYQVSGO-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.09
Rot. Bonds2

About 2-ethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide

2-ethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide (PubChem CID 173135351) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-ethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide.

Molecular Properties

Compound Name2-ethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
PubChem CID173135351
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-ethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
SMILESCCN1CCc2ccccc2C1C(N)=O
InChIInChI=1S/C12H16N2O/c1-2-14-8-7-9-5-3-4-6-10(9)11(14)12(13)15/h3-6,11H,2,7-8H2,1H3,(H2,13,15)
InChIKeyDFUGOMICYQVSGO-UHFFFAOYSA-N
XLogP1.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 23333363
1-but-1-en-2-yl-2-ethyl-3,4-dihydro-1H-isoquinoline
CID 142148353
2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 116995645
5-chloro-2-ethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 67984164
2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 173232418
2-(1H-1,2,4-triazol-5-ylmethyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 173081049
(1R)-2-(quinolin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 95980856
2-(2,2-dimethylpropanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 173232200
(1S)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 95302040
2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 173232682
2-(4-methyl-2-oxopentanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 173232159
ethyl 2-(2,2-difluoroethyl)-3,4-dihydro-1H-isoquinoline-1-carboxylate
CID 134337092

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide?
The IUPAC name of 2-ethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide (CID 173135351) is 2-ethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide.
What is the SMILES notation for 2-ethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide?
The canonical SMILES for 2-ethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide is CCN1CCc2ccccc2C1C(N)=O.
What is the InChIKey of 2-ethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide?
The InChIKey is DFUGOMICYQVSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-14-8-7-9-5-3-4-6-10(9)11(14)12(13)15/h3-6,11H,2,7-8H2,1H3,(H2,13,15).
What are the key properties of 2-ethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide?
2-ethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide has a molecular weight of 204.27 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide is sourced from PubChem (CID 173135351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).