N-[(R)-(4-methoxyphenyl)-phenylmethyl]isoquinoline-1-carboxamide

C24H20N2O2 — CID 52786837

IUPACN-[(R)-(4-methoxyphenyl)-phenylmethyl]isoquinoline-1-carboxamide
SMILESCOc1ccc([C@H](NC(=O)c2nccc3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C24H20N2O2/c1-28-20-13-11-19(12-14-20)22(18-8-3-2-4-9-18)26-24(27)23-21-10-6-5-7-17(21)15-16-25-23/h2-16,22H,1H3,(H,26,27)/t22-/m1/s1
InChIKeyGXEJVMMFTGLMKR-JOCHJYFZSA-N
MW368.44 g/mol
LogP4.76
Rot. Bonds5

About N-[(R)-(4-methoxyphenyl)-phenylmethyl]isoquinoline-1-carboxamide

N-[(R)-(4-methoxyphenyl)-phenylmethyl]isoquinoline-1-carboxamide (PubChem CID 52786837) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[(R)-(4-methoxyphenyl)-phenylmethyl]isoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-[(R)-(4-methoxyphenyl)-phenylmethyl]isoquinoline-1-carboxamide
PubChem CID52786837
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC NameN-[(R)-(4-methoxyphenyl)-phenylmethyl]isoquinoline-1-carboxamide
SMILESCOc1ccc([C@H](NC(=O)c2nccc3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C24H20N2O2/c1-28-20-13-11-19(12-14-20)22(18-8-3-2-4-9-18)26-24(27)23-21-10-6-5-7-17(21)15-16-25-23/h2-16,22H,1H3,(H,26,27)/t22-/m1/s1
InChIKeyGXEJVMMFTGLMKR-JOCHJYFZSA-N
XLogP4.76
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]pyridine-2-carboxamide
CID 46523092
N-[1-(2,4-dimethoxyphenyl)ethyl]isoquinoline-1-carboxamide
CID 51128012
isoquinolin-1-yl-(4-methoxyphenyl)methanone
CID 693112
[(S)-(4-methoxyphenyl)-phenylmethyl]urea
CID 870966
2,3,4,5,6-pentafluoro-N-[(R)-(4-methoxyphenyl)-phenylmethyl]benzamide
CID 2190610
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylbenzamide
CID 2949574
4-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 26174053
N-(4-hydroxybutan-2-yl)isoquinoline-1-carboxamide
CID 81042151
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-methylbenzamide
CID 976350
N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-phenylpropanamide
CID 891641
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide
CID 46419913
N-tert-butylisoquinoline-1-carboxamide
CID 62046176

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-methoxyphenyl)-phenylmethyl]isoquinoline-1-carboxamide?
The IUPAC name of N-[(R)-(4-methoxyphenyl)-phenylmethyl]isoquinoline-1-carboxamide (CID 52786837) is N-[(R)-(4-methoxyphenyl)-phenylmethyl]isoquinoline-1-carboxamide.
What is the SMILES notation for N-[(R)-(4-methoxyphenyl)-phenylmethyl]isoquinoline-1-carboxamide?
The canonical SMILES for N-[(R)-(4-methoxyphenyl)-phenylmethyl]isoquinoline-1-carboxamide is COc1ccc([C@H](NC(=O)c2nccc3ccccc23)c2ccccc2)cc1.
What is the InChIKey of N-[(R)-(4-methoxyphenyl)-phenylmethyl]isoquinoline-1-carboxamide?
The InChIKey is GXEJVMMFTGLMKR-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-28-20-13-11-19(12-14-20)22(18-8-3-2-4-9-18)26-24(27)23-21-10-6-5-7-17(21)15-16-25-23/h2-16,22H,1H3,(H,26,27)/t22-/m1/s1.
What are the key properties of N-[(R)-(4-methoxyphenyl)-phenylmethyl]isoquinoline-1-carboxamide?
N-[(R)-(4-methoxyphenyl)-phenylmethyl]isoquinoline-1-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-methoxyphenyl)-phenylmethyl]isoquinoline-1-carboxamide is sourced from PubChem (CID 52786837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).