N-benzyl-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

C22H20N2O3 — CID 3301981

IUPACN-benzyl-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESO=C(NCc1ccccc1)C1Cc2ccccc2CN1C(=O)c1ccco1
InChIInChI=1S/C22H20N2O3/c25-21(23-14-16-7-2-1-3-8-16)19-13-17-9-4-5-10-18(17)15-24(19)22(26)20-11-6-12-27-20/h1-12,19H,13-15H2,(H,23,25)
InChIKeyOGACLPBJTYZXRV-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.16
Rot. Bonds4

About N-benzyl-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

N-benzyl-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide (PubChem CID 3301981) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-benzyl-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
PubChem CID3301981
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC NameN-benzyl-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESO=C(NCc1ccccc1)C1Cc2ccccc2CN1C(=O)c1ccco1
InChIInChI=1S/C22H20N2O3/c25-21(23-14-16-7-2-1-3-8-16)19-13-17-9-4-5-10-18(17)15-24(19)22(26)20-11-6-12-27-20/h1-12,19H,13-15H2,(H,23,25)
InChIKeyOGACLPBJTYZXRV-UHFFFAOYSA-N
XLogP3.16
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The IUPAC name of N-benzyl-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide (CID 3301981) is N-benzyl-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide.
What is the SMILES notation for N-benzyl-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The canonical SMILES for N-benzyl-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide is O=C(NCc1ccccc1)C1Cc2ccccc2CN1C(=O)c1ccco1.
What is the InChIKey of N-benzyl-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The InChIKey is OGACLPBJTYZXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c25-21(23-14-16-7-2-1-3-8-16)19-13-17-9-4-5-10-18(17)15-24(19)22(26)20-11-6-12-27-20/h1-12,19H,13-15H2,(H,23,25).
What are the key properties of N-benzyl-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
N-benzyl-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide is sourced from PubChem (CID 3301981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).