N-[4-(1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]furan-2-carboxamide

C23H22N2O3 — CID 86951744

IUPACN-[4-(1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]furan-2-carboxamide
SMILESCCC1c2ccccc2CCN1C(=O)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C23H22N2O3/c1-2-20-19-7-4-3-6-16(19)13-14-25(20)23(27)17-9-11-18(12-10-17)24-22(26)21-8-5-15-28-21/h3-12,15,20H,2,13-14H2,1H3,(H,24,26)
InChIKeyGNEYSSJXDSKAOM-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.68
Rot. Bonds4

About N-[4-(1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]furan-2-carboxamide

N-[4-(1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]furan-2-carboxamide (PubChem CID 86951744) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[4-(1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]furan-2-carboxamide
PubChem CID86951744
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC NameN-[4-(1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]furan-2-carboxamide
SMILESCCC1c2ccccc2CCN1C(=O)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C23H22N2O3/c1-2-20-19-7-4-3-6-16(19)13-14-25(20)23(27)17-9-11-18(12-10-17)24-22(26)21-8-5-15-28-21/h3-12,15,20H,2,13-14H2,1H3,(H,24,26)
InChIKeyGNEYSSJXDSKAOM-UHFFFAOYSA-N
XLogP4.68
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]furan-2-carboxamide
CID 27332026
methyl 4-[(1S)-1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]benzoate
CID 97027147
N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]furan-2-carboxamide
CID 34818899
furan-2-yl-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 42710493
N-[4-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 9035306
3-[(1S)-1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one
CID 95967541
ethyl 1-[4-(furan-2-carbonylamino)benzoyl]piperidine-4-carboxylate
CID 27555217
N-[[(1R)-2-benzoyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]benzamide
CID 1357331
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
(2,4-dimethyl-1,3-oxazol-5-yl)-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 71984216
N-[4-(2-pyridin-4-ylpyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 24670276
N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 78793816

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]furan-2-carboxamide (CID 86951744) is N-[4-(1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]furan-2-carboxamide is CCC1c2ccccc2CCN1C(=O)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-(1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]furan-2-carboxamide?
The InChIKey is GNEYSSJXDSKAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-2-20-19-7-4-3-6-16(19)13-14-25(20)23(27)17-9-11-18(12-10-17)24-22(26)21-8-5-15-28-21/h3-12,15,20H,2,13-14H2,1H3,(H,24,26).
What are the key properties of N-[4-(1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]furan-2-carboxamide?
N-[4-(1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]furan-2-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 86951744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).