2-(4-methoxyphenyl)-N-[[5-(3-methylphenyl)isoquinolin-8-yl]methyl]cyclopropane-1-carboxamide

C28H26N2O2 — CID 130465529

IUPAC2-(4-methoxyphenyl)-N-[[5-(3-methylphenyl)isoquinolin-8-yl]methyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(C2CC2C(=O)NCc2ccc(-c3cccc(C)c3)c3ccncc23)cc1
InChIInChI=1S/C28H26N2O2/c1-18-4-3-5-20(14-18)23-11-8-21(27-17-29-13-12-24(23)27)16-30-28(31)26-15-25(26)19-6-9-22(32-2)10-7-19/h3-14,17,25-26H,15-16H2,1-2H3,(H,30,31)
InChIKeyNDQBGXQOABPLEE-UHFFFAOYSA-N
MW422.53 g/mol
LogP5.64
Rot. Bonds6

About 2-(4-methoxyphenyl)-N-[[5-(3-methylphenyl)isoquinolin-8-yl]methyl]cyclopropane-1-carboxamide

2-(4-methoxyphenyl)-N-[[5-(3-methylphenyl)isoquinolin-8-yl]methyl]cyclopropane-1-carboxamide (PubChem CID 130465529) has the molecular formula C28H26N2O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[[5-(3-methylphenyl)isoquinolin-8-yl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[[5-(3-methylphenyl)isoquinolin-8-yl]methyl]cyclopropane-1-carboxamide
PubChem CID130465529
Molecular FormulaC28H26N2O2
Molecular Weight422.53 g/mol
Exact Mass422.20
IUPAC Name2-(4-methoxyphenyl)-N-[[5-(3-methylphenyl)isoquinolin-8-yl]methyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(C2CC2C(=O)NCc2ccc(-c3cccc(C)c3)c3ccncc23)cc1
InChIInChI=1S/C28H26N2O2/c1-18-4-3-5-20(14-18)23-11-8-21(27-17-29-13-12-24(23)27)16-30-28(31)26-15-25(26)19-6-9-22(32-2)10-7-19/h3-14,17,25-26H,15-16H2,1-2H3,(H,30,31)
InChIKeyNDQBGXQOABPLEE-UHFFFAOYSA-N
XLogP5.64
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-methoxyphenyl)-N-[[5-(3-methylphenyl)isoquinolin-8-yl]methyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

N-[[5-(3-hydroxyphenyl)isoquinolin-8-yl]methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 118928845
2-(4-fluorophenyl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]cyclopropane-1-carboxamide
CID 118928846
2-(3-bromophenyl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]cyclopropane-1-carboxamide
CID 118928938
methyl 3-[8-[[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]methyl]isoquinolin-5-yl]benzoate
CID 130446689
1-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-3-(4-methylphenyl)urea
CID 7261153
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]propanamide
CID 118916533
N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-3-phenylpyridine-4-carboxamide
CID 118916588
(2R)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-2-phenylpropanamide
CID 125465641
N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 118916626
5-(3-methoxyphenyl)-8-[[(2-phenylcyclopropanecarbonyl)amino]methyl]-N-pyridin-4-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 118917997
4-(2-hydroxyphenyl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]benzamide
CID 118928930
2-[[[5-(3-methoxyphenyl)isoquinolin-8-yl]methylamino]methyl]phenol
CID 42797606

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[[5-(3-methylphenyl)isoquinolin-8-yl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[[5-(3-methylphenyl)isoquinolin-8-yl]methyl]cyclopropane-1-carboxamide (CID 130465529) is 2-(4-methoxyphenyl)-N-[[5-(3-methylphenyl)isoquinolin-8-yl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[[5-(3-methylphenyl)isoquinolin-8-yl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[[5-(3-methylphenyl)isoquinolin-8-yl]methyl]cyclopropane-1-carboxamide is COc1ccc(C2CC2C(=O)NCc2ccc(-c3cccc(C)c3)c3ccncc23)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[[5-(3-methylphenyl)isoquinolin-8-yl]methyl]cyclopropane-1-carboxamide?
The InChIKey is NDQBGXQOABPLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O2/c1-18-4-3-5-20(14-18)23-11-8-21(27-17-29-13-12-24(23)27)16-30-28(31)26-15-25(26)19-6-9-22(32-2)10-7-19/h3-14,17,25-26H,15-16H2,1-2H3,(H,30,31).
What are the key properties of 2-(4-methoxyphenyl)-N-[[5-(3-methylphenyl)isoquinolin-8-yl]methyl]cyclopropane-1-carboxamide?
2-(4-methoxyphenyl)-N-[[5-(3-methylphenyl)isoquinolin-8-yl]methyl]cyclopropane-1-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[[5-(3-methylphenyl)isoquinolin-8-yl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 130465529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).