2-ethyl-3-oxo-N-(oxolan-2-ylmethyl)-1,4-dihydroisoquinoline-1-carboxamide

C17H22N2O3 — CID 53147499

IUPAC2-ethyl-3-oxo-N-(oxolan-2-ylmethyl)-1,4-dihydroisoquinoline-1-carboxamide
SMILESCCN1C(=O)Cc2ccccc2C1C(=O)NCC1CCCO1
InChIInChI=1S/C17H22N2O3/c1-2-19-15(20)10-12-6-3-4-8-14(12)16(19)17(21)18-11-13-7-5-9-22-13/h3-4,6,8,13,16H,2,5,7,9-11H2,1H3,(H,18,21)
InChIKeyWJRPSLADVGOLDL-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.43
Rot. Bonds4

About 2-ethyl-3-oxo-N-(oxolan-2-ylmethyl)-1,4-dihydroisoquinoline-1-carboxamide

2-ethyl-3-oxo-N-(oxolan-2-ylmethyl)-1,4-dihydroisoquinoline-1-carboxamide (PubChem CID 53147499) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-ethyl-3-oxo-N-(oxolan-2-ylmethyl)-1,4-dihydroisoquinoline-1-carboxamide.

Molecular Properties

Compound Name2-ethyl-3-oxo-N-(oxolan-2-ylmethyl)-1,4-dihydroisoquinoline-1-carboxamide
PubChem CID53147499
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name2-ethyl-3-oxo-N-(oxolan-2-ylmethyl)-1,4-dihydroisoquinoline-1-carboxamide
SMILESCCN1C(=O)Cc2ccccc2C1C(=O)NCC1CCCO1
InChIInChI=1S/C17H22N2O3/c1-2-19-15(20)10-12-6-3-4-8-14(12)16(19)17(21)18-11-13-7-5-9-22-13/h3-4,6,8,13,16H,2,5,7,9-11H2,1H3,(H,18,21)
InChIKeyWJRPSLADVGOLDL-UHFFFAOYSA-N
XLogP1.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-2-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]azaniumyl]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 40466957
(3S)-N-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 7554104
(3S)-N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 7620272
2-[2-(1-Ethoxycarbonyl-3-phenyl-propylamino)-propionyl]-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid ethyl ester
CID 44301623
(2S)-1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 11876670
N-{[2-(morpholin-4-ylacetyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}cyclohexanecarboxamide
CID 655404
N-cyclohexyl-2-morpholin-4-yl-2-phenylacetamide
CID 3240341
(3S)-3-[(tert-butylcarbamoylamino)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 44286884
N-(oxolan-2-ylmethyl)-N'-(1-phenylethyl)oxamide
CID 2883263
H-Tic-Pro-NHPr.HCl
CID 24747767
4-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)cyclohexane-1-carboxamide
CID 137541803
3-Isoquinolinecarboxamide, 1,2,3,4-tetrahydro-N-(2-(diethylamino)ethyl)-
CID 36134

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-oxo-N-(oxolan-2-ylmethyl)-1,4-dihydroisoquinoline-1-carboxamide?
The IUPAC name of 2-ethyl-3-oxo-N-(oxolan-2-ylmethyl)-1,4-dihydroisoquinoline-1-carboxamide (CID 53147499) is 2-ethyl-3-oxo-N-(oxolan-2-ylmethyl)-1,4-dihydroisoquinoline-1-carboxamide.
What is the SMILES notation for 2-ethyl-3-oxo-N-(oxolan-2-ylmethyl)-1,4-dihydroisoquinoline-1-carboxamide?
The canonical SMILES for 2-ethyl-3-oxo-N-(oxolan-2-ylmethyl)-1,4-dihydroisoquinoline-1-carboxamide is CCN1C(=O)Cc2ccccc2C1C(=O)NCC1CCCO1.
What is the InChIKey of 2-ethyl-3-oxo-N-(oxolan-2-ylmethyl)-1,4-dihydroisoquinoline-1-carboxamide?
The InChIKey is WJRPSLADVGOLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-2-19-15(20)10-12-6-3-4-8-14(12)16(19)17(21)18-11-13-7-5-9-22-13/h3-4,6,8,13,16H,2,5,7,9-11H2,1H3,(H,18,21).
What are the key properties of 2-ethyl-3-oxo-N-(oxolan-2-ylmethyl)-1,4-dihydroisoquinoline-1-carboxamide?
2-ethyl-3-oxo-N-(oxolan-2-ylmethyl)-1,4-dihydroisoquinoline-1-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-oxo-N-(oxolan-2-ylmethyl)-1,4-dihydroisoquinoline-1-carboxamide is sourced from PubChem (CID 53147499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).