2-(2,4-dimethylquinolin-3-yl)-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide

C25H26N4O2 — CID 25350381

IUPAC2-(2,4-dimethylquinolin-3-yl)-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
SMILESCOc1ccc([C@@H](NC(=O)Cc2c(C)nc3ccccc3c2C)c2nccn2C)cc1
InChIInChI=1S/C25H26N4O2/c1-16-20-7-5-6-8-22(20)27-17(2)21(16)15-23(30)28-24(25-26-13-14-29(25)3)18-9-11-19(31-4)12-10-18/h5-14,24H,15H2,1-4H3,(H,28,30)/t24-/m1/s1
InChIKeyPXTWEXNDBPBSBE-XMMPIXPASA-N
MW414.51 g/mol
LogP4.04
Rot. Bonds6

About 2-(2,4-dimethylquinolin-3-yl)-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide

2-(2,4-dimethylquinolin-3-yl)-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide (PubChem CID 25350381) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-(2,4-dimethylquinolin-3-yl)-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylquinolin-3-yl)-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
PubChem CID25350381
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name2-(2,4-dimethylquinolin-3-yl)-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
SMILESCOc1ccc([C@@H](NC(=O)Cc2c(C)nc3ccccc3c2C)c2nccn2C)cc1
InChIInChI=1S/C25H26N4O2/c1-16-20-7-5-6-8-22(20)27-17(2)21(16)15-23(30)28-24(25-26-13-14-29(25)3)18-9-11-19(31-4)12-10-18/h5-14,24H,15H2,1-4H3,(H,28,30)/t24-/m1/s1
InChIKeyPXTWEXNDBPBSBE-XMMPIXPASA-N
XLogP4.04
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dimethylquinolin-3-yl)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide
CID 40645687
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 46589610
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 46528475
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 42924338
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-naphthalen-1-ylacetamide
CID 55457067
N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methylphenoxy)acetamide
CID 40952513
4-amino-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide
CID 120564384
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylindol-1-yl)acetamide
CID 17488613
N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylacetamide
CID 40720270
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 46529258
2-cyclopropyl-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]quinoline-4-carboxamide
CID 55457097
3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dimethylurea
CID 110429250

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylquinolin-3-yl)-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(2,4-dimethylquinolin-3-yl)-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide (CID 25350381) is 2-(2,4-dimethylquinolin-3-yl)-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethylquinolin-3-yl)-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(2,4-dimethylquinolin-3-yl)-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide is COc1ccc([C@@H](NC(=O)Cc2c(C)nc3ccccc3c2C)c2nccn2C)cc1.
What is the InChIKey of 2-(2,4-dimethylquinolin-3-yl)-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
The InChIKey is PXTWEXNDBPBSBE-XMMPIXPASA-N. The full InChI is InChI=1S/C25H26N4O2/c1-16-20-7-5-6-8-22(20)27-17(2)21(16)15-23(30)28-24(25-26-13-14-29(25)3)18-9-11-19(31-4)12-10-18/h5-14,24H,15H2,1-4H3,(H,28,30)/t24-/m1/s1.
What are the key properties of 2-(2,4-dimethylquinolin-3-yl)-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide?
2-(2,4-dimethylquinolin-3-yl)-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide has a molecular weight of 414.51 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylquinolin-3-yl)-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 25350381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).