N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide

C19H23N3O3 — CID 38552373

IUPACN-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)NCCN1CCc2ccccc2C1
InChIInChI=1S/C19H23N3O3/c23-18(7-9-21-19(24)17-6-3-13-25-17)20-10-12-22-11-8-15-4-1-2-5-16(15)14-22/h1-6,13H,7-12,14H2,(H,20,23)(H,21,24)
InChIKeyKQFXUVIGIHWHDD-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.57
Rot. Bonds7

About N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide

N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide (PubChem CID 38552373) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide
PubChem CID38552373
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)NCCN1CCc2ccccc2C1
InChIInChI=1S/C19H23N3O3/c23-18(7-9-21-19(24)17-6-3-13-25-17)20-10-12-22-11-8-15-4-1-2-5-16(15)14-22/h1-6,13H,7-12,14H2,(H,20,23)(H,21,24)
InChIKeyKQFXUVIGIHWHDD-UHFFFAOYSA-N
XLogP1.57
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]furan-2-carboxamide
CID 39614119
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]furan-2-carboxamide
CID 35811729
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]furan-2-carboxamide
CID 119391210
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109024550
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide
CID 4051467
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]furan-2-carboxamide;hydrochloride
CID 119391209
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-(methylamino)butanamide
CID 119850084
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(3-fluorophenyl)propanamide
CID 38554479
N-[2-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]ethyl]furan-2-carboxamide
CID 36972876
N-[2-(4-methylpiperidin-1-yl)ethyl]furan-2-carboxamide
CID 60769782
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide
CID 39568678
N-[3-oxo-3-(1H-pyrrol-3-ylmethylamino)propyl]furan-2-carboxamide
CID 106385845

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide (CID 38552373) is N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide is O=C(CCNC(=O)c1ccco1)NCCN1CCc2ccccc2C1.
What is the InChIKey of N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is KQFXUVIGIHWHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c23-18(7-9-21-19(24)17-6-3-13-25-17)20-10-12-22-11-8-15-4-1-2-5-16(15)14-22/h1-6,13H,7-12,14H2,(H,20,23)(H,21,24).
What are the key properties of N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide?
N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 38552373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).