N-isoquinolin-6-yl-2-[4-(methoxymethyl)phenyl]cyclopropane-1-carboxamide

C21H20N2O2 — CID 146436490

IUPACN-isoquinolin-6-yl-2-[4-(methoxymethyl)phenyl]cyclopropane-1-carboxamide
SMILESCOCc1ccc(C2CC2C(=O)Nc2ccc3cnccc3c2)cc1
InChIInChI=1S/C21H20N2O2/c1-25-13-14-2-4-15(5-3-14)19-11-20(19)21(24)23-18-7-6-17-12-22-9-8-16(17)10-18/h2-10,12,19-20H,11,13H2,1H3,(H,23,24)
InChIKeyCBCJRBSAJQQOII-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.12
Rot. Bonds5

About N-isoquinolin-6-yl-2-[4-(methoxymethyl)phenyl]cyclopropane-1-carboxamide

N-isoquinolin-6-yl-2-[4-(methoxymethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 146436490) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-isoquinolin-6-yl-2-[4-(methoxymethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-isoquinolin-6-yl-2-[4-(methoxymethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID146436490
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC NameN-isoquinolin-6-yl-2-[4-(methoxymethyl)phenyl]cyclopropane-1-carboxamide
SMILESCOCc1ccc(C2CC2C(=O)Nc2ccc3cnccc3c2)cc1
InChIInChI=1S/C21H20N2O2/c1-25-13-14-2-4-15(5-3-14)19-11-20(19)21(24)23-18-7-6-17-12-22-9-8-16(17)10-18/h2-10,12,19-20H,11,13H2,1H3,(H,23,24)
InChIKeyCBCJRBSAJQQOII-UHFFFAOYSA-N
XLogP4.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-isoquinolin-6-yl-2-pyridin-4-ylcyclopropane-1-carboxamide
CID 135200030
4-[2-(isoquinolin-6-ylcarbamoyl)cyclopropyl]benzoic acid
CID 135349582
sulfane;trans-(1S,2S)-N-isoquinolin-6-yl-2-phenylcyclopropane-1-carboxamide
CID 159567121
4-[(1R,2R)-2-(isoquinolin-6-ylcarbamoyl)cyclopropyl]-N-(pyridin-4-ylmethyl)benzamide
CID 142446993
4-[(1R)-2-(isoquinolin-6-ylcarbamoyl)cyclopropyl]-N-(pyridin-3-ylmethyl)benzamide
CID 155370478
benzyl 3-[(1R,2R)-2-(isoquinolin-6-ylcarbamoyl)cyclopropyl]benzoate
CID 140944098
4-[(1R,2R)-2-(isoquinolin-6-ylcarbamoyl)cyclopropyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 142446879
2-(4-fluorophenyl)-N-[4-[4-(methoxymethyl)phenyl]phenyl]cyclopropane-1-carboxamide
CID 164531756
[4-[(1R,2R)-2-(isoquinolin-6-ylcarbamoyl)cyclopropyl]phenyl] morpholine-4-carboxylate
CID 142446837
N-isoquinolin-6-yl-2-[4-(thiophene-2-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 135199989
trans-(1R,2R)-N-isoquinolin-6-yl-2-[4-(piperidin-4-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 135374939
N-(2-ethylpentyl)-4-[2-(isoquinolin-6-ylcarbamoyl)cyclopropyl]benzamide
CID 155370547

Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-6-yl-2-[4-(methoxymethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-isoquinolin-6-yl-2-[4-(methoxymethyl)phenyl]cyclopropane-1-carboxamide (CID 146436490) is N-isoquinolin-6-yl-2-[4-(methoxymethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-isoquinolin-6-yl-2-[4-(methoxymethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-isoquinolin-6-yl-2-[4-(methoxymethyl)phenyl]cyclopropane-1-carboxamide is COCc1ccc(C2CC2C(=O)Nc2ccc3cnccc3c2)cc1.
What is the InChIKey of N-isoquinolin-6-yl-2-[4-(methoxymethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is CBCJRBSAJQQOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-25-13-14-2-4-15(5-3-14)19-11-20(19)21(24)23-18-7-6-17-12-22-9-8-16(17)10-18/h2-10,12,19-20H,11,13H2,1H3,(H,23,24).
What are the key properties of N-isoquinolin-6-yl-2-[4-(methoxymethyl)phenyl]cyclopropane-1-carboxamide?
N-isoquinolin-6-yl-2-[4-(methoxymethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-6-yl-2-[4-(methoxymethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 146436490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).