2-(1H-indol-3-yl)-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]pentyl]acetamide

C28H29N5O2 — CID 164625922

IUPAC2-(1H-indol-3-yl)-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]pentyl]acetamide
SMILESCCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1ncc(-c2cc3ccccc3nc2OC)[nH]1
InChIInChI=1S/C28H29N5O2/c1-3-4-11-24(31-26(34)15-19-16-29-23-13-8-6-10-20(19)23)27-30-17-25(32-27)21-14-18-9-5-7-12-22(18)33-28(21)35-2/h5-10,12-14,16-17,24,29H,3-4,11,15H2,1-2H3,(H,30,32)(H,31,34)/t24-/m0/s1
InChIKeyVNLUEMMOFCPORO-DEOSSOPVSA-N
MW467.57 g/mol
LogP5.70
Rot. Bonds9

About 2-(1H-indol-3-yl)-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]pentyl]acetamide

2-(1H-indol-3-yl)-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]pentyl]acetamide (PubChem CID 164625922) has the molecular formula C28H29N5O2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]pentyl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]pentyl]acetamide
PubChem CID164625922
Molecular FormulaC28H29N5O2
Molecular Weight467.57 g/mol
Exact Mass467.23
IUPAC Name2-(1H-indol-3-yl)-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]pentyl]acetamide
SMILESCCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1ncc(-c2cc3ccccc3nc2OC)[nH]1
InChIInChI=1S/C28H29N5O2/c1-3-4-11-24(31-26(34)15-19-16-29-23-13-8-6-10-20(19)23)27-30-17-25(32-27)21-14-18-9-5-7-12-22(18)33-28(21)35-2/h5-10,12-14,16-17,24,29H,3-4,11,15H2,1-2H3,(H,30,32)(H,31,34)/t24-/m0/s1
InChIKeyVNLUEMMOFCPORO-DEOSSOPVSA-N
XLogP5.70
TPSA95.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 55.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-[(2-pyrazin-2-ylacetyl)amino]heptanamide
CID 144617487
N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]butyl]-1-methylazetidine-3-carboxamide
CID 164625443
(7S)-7-[3-(2-ethylbenzimidazol-1-yl)propanoylamino]-7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]heptanamide
CID 90149274
N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-oxononyl]formamide
CID 166912612
(7S)-7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-(3-morpholin-4-ylpropanoylamino)heptanamide
CID 90149160
7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-N-methyl-7-(3-morpholin-4-ylpropanoylamino)heptanamide
CID 118453343
7-[[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]-7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-N-methylheptanamide
CID 118453165
N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-(methylamino)-7-oxoheptyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 118453290
N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-oxononyl]-5-methyl-5-azaspiro[2.3]hexane-2-carboxamide
CID 162506701
(7S)-7-[[1-azabicyclo[2.2.2]octan-4-yl(hydroxy)methyl]amino]-7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-N-methylheptanamide
CID 130373668
(2R)-N-[1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-oxononyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide
CID 166729369
N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(1H-indol-3-yl)acetamide
CID 2124947

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]pentyl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]pentyl]acetamide (CID 164625922) is 2-(1H-indol-3-yl)-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]pentyl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]pentyl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]pentyl]acetamide is CCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1ncc(-c2cc3ccccc3nc2OC)[nH]1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]pentyl]acetamide?
The InChIKey is VNLUEMMOFCPORO-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H29N5O2/c1-3-4-11-24(31-26(34)15-19-16-29-23-13-8-6-10-20(19)23)27-30-17-25(32-27)21-14-18-9-5-7-12-22(18)33-28(21)35-2/h5-10,12-14,16-17,24,29H,3-4,11,15H2,1-2H3,(H,30,32)(H,31,34)/t24-/m0/s1.
What are the key properties of 2-(1H-indol-3-yl)-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]pentyl]acetamide?
2-(1H-indol-3-yl)-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]pentyl]acetamide has a molecular weight of 467.57 g/mol, XLogP of 5.70, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]pentyl]acetamide is sourced from PubChem (CID 164625922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).