7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-N-methyl-7-(3-morpholin-4-ylpropanoylamino)heptanamide

C28H38N6O4 — CID 118453343

IUPAC7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-N-methyl-7-(3-morpholin-4-ylpropanoylamino)heptanamide
SMILESCNC(=O)CCCCCC(NC(=O)CCN1CCOCC1)c1ncc(-c2cc3ccccc3nc2OC)[nH]1
InChIInChI=1S/C28H38N6O4/c1-29-25(35)11-5-3-4-10-23(31-26(36)12-13-34-14-16-38-17-15-34)27-30-19-24(32-27)21-18-20-8-6-7-9-22(20)33-28(21)37-2/h6-9,18-19,23H,3-5,10-17H2,1-2H3,(H,29,35)(H,30,32)(H,31,36)
InChIKeyDTIWYDLPEVAVLN-UHFFFAOYSA-N
MW522.65 g/mol
LogP3.21
Rot. Bonds13

About 7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-N-methyl-7-(3-morpholin-4-ylpropanoylamino)heptanamide

7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-N-methyl-7-(3-morpholin-4-ylpropanoylamino)heptanamide (PubChem CID 118453343) has the molecular formula C28H38N6O4 and a molecular weight of 522.65 g/mol. Its IUPAC name is 7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-N-methyl-7-(3-morpholin-4-ylpropanoylamino)heptanamide.

Molecular Properties

Compound Name7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-N-methyl-7-(3-morpholin-4-ylpropanoylamino)heptanamide
PubChem CID118453343
Molecular FormulaC28H38N6O4
Molecular Weight522.65 g/mol
Exact Mass522.30
IUPAC Name7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-N-methyl-7-(3-morpholin-4-ylpropanoylamino)heptanamide
SMILESCNC(=O)CCCCCC(NC(=O)CCN1CCOCC1)c1ncc(-c2cc3ccccc3nc2OC)[nH]1
InChIInChI=1S/C28H38N6O4/c1-29-25(35)11-5-3-4-10-23(31-26(36)12-13-34-14-16-38-17-15-34)27-30-19-24(32-27)21-18-20-8-6-7-9-22(20)33-28(21)37-2/h6-9,18-19,23H,3-5,10-17H2,1-2H3,(H,29,35)(H,30,32)(H,31,36)
InChIKeyDTIWYDLPEVAVLN-UHFFFAOYSA-N
XLogP3.21
TPSA121.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.65
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(7S)-7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-(3-morpholin-4-ylpropanoylamino)heptanamide
CID 90149160
(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
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
(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-(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
N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]butyl]-1-methylazetidine-3-carboxamide
CID 164625443
N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-5-[(2-methylsulfanylbenzoyl)amino]pentyl]-1-methylazetidine-3-carboxamide
CID 164787864
N-methyl-7-(3-piperidin-1-ylpropanoylamino)-7-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]heptanamide
CID 118453179
7-[3-(2-ethylbenzimidazol-1-yl)propanoylamino]-N-methyl-7-(5-naphthalen-2-yl-1H-imidazol-2-yl)heptanamide
CID 118453129
1-methyl-N-[(1S)-7-(methylamino)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)-7-oxoheptyl]pyrrolidine-3-carboxamide
CID 118453130
N-[1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-2-(4-oxohexoxy)ethyl]-1-azabicyclo[2.2.2]octane-4-carboxamide
CID 154649113

Frequently Asked Questions

What is the IUPAC name of 7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-N-methyl-7-(3-morpholin-4-ylpropanoylamino)heptanamide?
The IUPAC name of 7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-N-methyl-7-(3-morpholin-4-ylpropanoylamino)heptanamide (CID 118453343) is 7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-N-methyl-7-(3-morpholin-4-ylpropanoylamino)heptanamide.
What is the SMILES notation for 7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-N-methyl-7-(3-morpholin-4-ylpropanoylamino)heptanamide?
The canonical SMILES for 7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-N-methyl-7-(3-morpholin-4-ylpropanoylamino)heptanamide is CNC(=O)CCCCCC(NC(=O)CCN1CCOCC1)c1ncc(-c2cc3ccccc3nc2OC)[nH]1.
What is the InChIKey of 7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-N-methyl-7-(3-morpholin-4-ylpropanoylamino)heptanamide?
The InChIKey is DTIWYDLPEVAVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N6O4/c1-29-25(35)11-5-3-4-10-23(31-26(36)12-13-34-14-16-38-17-15-34)27-30-19-24(32-27)21-18-20-8-6-7-9-22(20)33-28(21)37-2/h6-9,18-19,23H,3-5,10-17H2,1-2H3,(H,29,35)(H,30,32)(H,31,36).
What are the key properties of 7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-N-methyl-7-(3-morpholin-4-ylpropanoylamino)heptanamide?
7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-N-methyl-7-(3-morpholin-4-ylpropanoylamino)heptanamide has a molecular weight of 522.65 g/mol, XLogP of 3.21, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-N-methyl-7-(3-morpholin-4-ylpropanoylamino)heptanamide is sourced from PubChem (CID 118453343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).