N-(1,4-dihydroisoquinolin-4-yl)-N-(furan-2-ylmethyl)furan-2-carboxamide

C19H16N2O3 — CID 66847258

IUPACN-(1,4-dihydroisoquinolin-4-yl)-N-(furan-2-ylmethyl)furan-2-carboxamide
SMILESO=C(c1ccco1)N(Cc1ccco1)C1C=NCc2ccccc21
InChIInChI=1S/C19H16N2O3/c22-19(18-8-4-10-24-18)21(13-15-6-3-9-23-15)17-12-20-11-14-5-1-2-7-16(14)17/h1-10,12,17H,11,13H2
InChIKeyFQLNOXNOQMMDGP-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.84
Rot. Bonds4

About N-(1,4-dihydroisoquinolin-4-yl)-N-(furan-2-ylmethyl)furan-2-carboxamide

N-(1,4-dihydroisoquinolin-4-yl)-N-(furan-2-ylmethyl)furan-2-carboxamide (PubChem CID 66847258) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-(1,4-dihydroisoquinolin-4-yl)-N-(furan-2-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(1,4-dihydroisoquinolin-4-yl)-N-(furan-2-ylmethyl)furan-2-carboxamide
PubChem CID66847258
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC NameN-(1,4-dihydroisoquinolin-4-yl)-N-(furan-2-ylmethyl)furan-2-carboxamide
SMILESO=C(c1ccco1)N(Cc1ccco1)C1C=NCc2ccccc21
InChIInChI=1S/C19H16N2O3/c22-19(18-8-4-10-24-18)21(13-15-6-3-9-23-15)17-12-20-11-14-5-1-2-7-16(14)17/h1-10,12,17H,11,13H2
InChIKeyFQLNOXNOQMMDGP-UHFFFAOYSA-N
XLogP3.84
TPSA58.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide
CID 101142941
N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 47022966
N-(furan-2-ylmethyl)-N-(2-phenylethyl)furan-2-carboxamide
CID 42773267
3-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369452
2-benzyl-N-(furan-2-ylmethyl)-N-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 53147717
N,N-dibenzylfuran-2-carboxamide
CID 762503
N-benzyl-N-(furan-2-ylmethyl)cyclopentanecarboxamide
CID 52894765
5-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 60738196
4-[cyclopropyl(furan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782822
2-[acetyl(cyclopropyl)amino]-N-benzyl-N-(furan-2-ylmethyl)acetamide
CID 4281415
N-[1-[4-(1,3-benzoxazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 23943140
N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
CID 7546676

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dihydroisoquinolin-4-yl)-N-(furan-2-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-(1,4-dihydroisoquinolin-4-yl)-N-(furan-2-ylmethyl)furan-2-carboxamide (CID 66847258) is N-(1,4-dihydroisoquinolin-4-yl)-N-(furan-2-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-(1,4-dihydroisoquinolin-4-yl)-N-(furan-2-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-(1,4-dihydroisoquinolin-4-yl)-N-(furan-2-ylmethyl)furan-2-carboxamide is O=C(c1ccco1)N(Cc1ccco1)C1C=NCc2ccccc21.
What is the InChIKey of N-(1,4-dihydroisoquinolin-4-yl)-N-(furan-2-ylmethyl)furan-2-carboxamide?
The InChIKey is FQLNOXNOQMMDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c22-19(18-8-4-10-24-18)21(13-15-6-3-9-23-15)17-12-20-11-14-5-1-2-7-16(14)17/h1-10,12,17H,11,13H2.
What are the key properties of N-(1,4-dihydroisoquinolin-4-yl)-N-(furan-2-ylmethyl)furan-2-carboxamide?
N-(1,4-dihydroisoquinolin-4-yl)-N-(furan-2-ylmethyl)furan-2-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dihydroisoquinolin-4-yl)-N-(furan-2-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 66847258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).