N-ethyl-N-prop-2-ynylisoquinoline-1-carboxamide

C15H14N2O — CID 78918007

IUPACN-ethyl-N-prop-2-ynylisoquinoline-1-carboxamide
SMILESC#CCN(CC)C(=O)c1nccc2ccccc12
InChIInChI=1S/C15H14N2O/c1-3-11-17(4-2)15(18)14-13-8-6-5-7-12(13)9-10-16-14/h1,5-10H,4,11H2,2H3
InChIKeyOSIVFCHXGJGZCT-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.33
Rot. Bonds3

About N-ethyl-N-prop-2-ynylisoquinoline-1-carboxamide

N-ethyl-N-prop-2-ynylisoquinoline-1-carboxamide (PubChem CID 78918007) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is N-ethyl-N-prop-2-ynylisoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-prop-2-ynylisoquinoline-1-carboxamide
PubChem CID78918007
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC NameN-ethyl-N-prop-2-ynylisoquinoline-1-carboxamide
SMILESC#CCN(CC)C(=O)c1nccc2ccccc12
InChIInChI=1S/C15H14N2O/c1-3-11-17(4-2)15(18)14-13-8-6-5-7-12(13)9-10-16-14/h1,5-10H,4,11H2,2H3
InChIKeyOSIVFCHXGJGZCT-UHFFFAOYSA-N
XLogP2.33
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide
CID 104742746
N-ethyl-1-hydroxy-N-prop-2-ynylnaphthalene-2-carboxamide
CID 78971167
N-(2-aminoethyl)-N-butylisoquinoline-1-carboxamide
CID 63753520
N-(1-hydroxypropan-2-yl)-N-methylisoquinoline-1-carboxamide
CID 113337599
3,6-dichloro-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide
CID 78970836
2-bromo-N-ethyl-N-prop-2-ynylpyridine-3-carboxamide
CID 103754874
N-heptan-4-yl-N-methylisoquinoline-1-carboxamide
CID 138509693
6-bromo-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide
CID 103889846
N-ethyl-N-prop-2-ynyl-1-benzofuran-3-carboxamide
CID 78959159
3-amino-N-propyl-N-prop-2-ynylpyridine-2-carboxamide
CID 104742747
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)isoquinoline-1-carboxamide
CID 107482402
N-(3-aminopropyl)-N-(2-methoxyethyl)isoquinoline-1-carboxamide
CID 63287507

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-prop-2-ynylisoquinoline-1-carboxamide?
The IUPAC name of N-ethyl-N-prop-2-ynylisoquinoline-1-carboxamide (CID 78918007) is N-ethyl-N-prop-2-ynylisoquinoline-1-carboxamide.
What is the SMILES notation for N-ethyl-N-prop-2-ynylisoquinoline-1-carboxamide?
The canonical SMILES for N-ethyl-N-prop-2-ynylisoquinoline-1-carboxamide is C#CCN(CC)C(=O)c1nccc2ccccc12.
What is the InChIKey of N-ethyl-N-prop-2-ynylisoquinoline-1-carboxamide?
The InChIKey is OSIVFCHXGJGZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-3-11-17(4-2)15(18)14-13-8-6-5-7-12(13)9-10-16-14/h1,5-10H,4,11H2,2H3.
What are the key properties of N-ethyl-N-prop-2-ynylisoquinoline-1-carboxamide?
N-ethyl-N-prop-2-ynylisoquinoline-1-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-prop-2-ynylisoquinoline-1-carboxamide is sourced from PubChem (CID 78918007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).