5-[[2-(cyclopropanecarbonyl)-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-(3-fluorophenyl)furan-2-carboxamide

C32H29FN2O4 — CID 42861055

IUPAC5-[[2-(cyclopropanecarbonyl)-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-(3-fluorophenyl)furan-2-carboxamide
SMILESCc1cccc(C2c3cc(OCc4ccc(C(=O)Nc5cccc(F)c5)o4)ccc3CCN2C(=O)C2CC2)c1
InChIInChI=1S/C32H29FN2O4/c1-20-4-2-5-23(16-20)30-28-18-26(11-10-21(28)14-15-35(30)32(37)22-8-9-22)38-19-27-12-13-29(39-27)31(36)34-25-7-3-6-24(33)17-25/h2-7,10-13,16-18,22,30H,8-9,14-15,19H2,1H3,(H,34,36)
InChIKeyOKWNCOJKQRRBJU-UHFFFAOYSA-N
MW524.59 g/mol
LogP6.44
Rot. Bonds7

About 5-[[2-(cyclopropanecarbonyl)-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-(3-fluorophenyl)furan-2-carboxamide

5-[[2-(cyclopropanecarbonyl)-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-(3-fluorophenyl)furan-2-carboxamide (PubChem CID 42861055) has the molecular formula C32H29FN2O4 and a molecular weight of 524.59 g/mol. Its IUPAC name is 5-[[2-(cyclopropanecarbonyl)-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-(3-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[[2-(cyclopropanecarbonyl)-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-(3-fluorophenyl)furan-2-carboxamide
PubChem CID42861055
Molecular FormulaC32H29FN2O4
Molecular Weight524.59 g/mol
Exact Mass524.21
IUPAC Name5-[[2-(cyclopropanecarbonyl)-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-(3-fluorophenyl)furan-2-carboxamide
SMILESCc1cccc(C2c3cc(OCc4ccc(C(=O)Nc5cccc(F)c5)o4)ccc3CCN2C(=O)C2CC2)c1
InChIInChI=1S/C32H29FN2O4/c1-20-4-2-5-23(16-20)30-28-18-26(11-10-21(28)14-15-35(30)32(37)22-8-9-22)38-19-27-12-13-29(39-27)31(36)34-25-7-3-6-24(33)17-25/h2-7,10-13,16-18,22,30H,8-9,14-15,19H2,1H3,(H,34,36)
InChIKeyOKWNCOJKQRRBJU-UHFFFAOYSA-N
XLogP6.44
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.59
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[2-(cyclopropanecarbonyl)-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-(3-fluorophenyl)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[(1R)-2-(cyclopropanecarbonyl)-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-(4-fluorophenyl)furan-2-carboxamide
CID 93337212
5-[[2-(cyclopropanecarbonyl)-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 46058992
5-[[1-(3-fluorophenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-(4-methylphenyl)furan-2-carboxamide
CID 42861017
5-[[2-(cyclopropanecarbonyl)-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-ethylfuran-2-carboxamide
CID 42861054
N-(3-fluorophenyl)-5-[[1-(4-fluorophenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]furan-2-carboxamide
CID 42860767
5-[[2-(cyclopropanecarbonyl)-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-cyclopropylfuran-2-carboxamide
CID 46058920
5-[[(1S)-2-(cyclopropanecarbonyl)-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 93336668
5-[[2-(cyclopentanecarbonyl)-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-propylfuran-2-carboxamide
CID 46059014
5-[[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-phenylfuran-2-carboxamide
CID 42861001
N-[(4-fluorophenyl)methyl]-5-[[1-(3-methylphenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]furan-2-carboxamide
CID 42861042
cyclopropyl-[(1R)-1-(3-methylphenyl)-7-[[5-(morpholine-4-carbonyl)furan-2-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 93337108
5-[[2-(cyclopropanecarbonyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide
CID 42861254

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(cyclopropanecarbonyl)-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-(3-fluorophenyl)furan-2-carboxamide?
The IUPAC name of 5-[[2-(cyclopropanecarbonyl)-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-(3-fluorophenyl)furan-2-carboxamide (CID 42861055) is 5-[[2-(cyclopropanecarbonyl)-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-(3-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[[2-(cyclopropanecarbonyl)-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-(3-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for 5-[[2-(cyclopropanecarbonyl)-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-(3-fluorophenyl)furan-2-carboxamide is Cc1cccc(C2c3cc(OCc4ccc(C(=O)Nc5cccc(F)c5)o4)ccc3CCN2C(=O)C2CC2)c1.
What is the InChIKey of 5-[[2-(cyclopropanecarbonyl)-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-(3-fluorophenyl)furan-2-carboxamide?
The InChIKey is OKWNCOJKQRRBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29FN2O4/c1-20-4-2-5-23(16-20)30-28-18-26(11-10-21(28)14-15-35(30)32(37)22-8-9-22)38-19-27-12-13-29(39-27)31(36)34-25-7-3-6-24(33)17-25/h2-7,10-13,16-18,22,30H,8-9,14-15,19H2,1H3,(H,34,36).
What are the key properties of 5-[[2-(cyclopropanecarbonyl)-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-(3-fluorophenyl)furan-2-carboxamide?
5-[[2-(cyclopropanecarbonyl)-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-(3-fluorophenyl)furan-2-carboxamide has a molecular weight of 524.59 g/mol, XLogP of 6.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(cyclopropanecarbonyl)-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-(3-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 42861055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).