N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]butyl]-1-methylazetidine-3-carboxamide

C22H27N5O2 — CID 164625443

IUPACN-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]butyl]-1-methylazetidine-3-carboxamide
SMILESCCC[C@H](NC(=O)C1CN(C)C1)c1ncc(-c2cc3ccccc3nc2OC)[nH]1
InChIInChI=1S/C22H27N5O2/c1-4-7-18(25-21(28)15-12-27(2)13-15)20-23-11-19(24-20)16-10-14-8-5-6-9-17(14)26-22(16)29-3/h5-6,8-11,15,18H,4,7,12-13H2,1-3H3,(H,23,24)(H,25,28)/t18-/m0/s1
InChIKeyCXYJWPKRZDYHBA-SFHVURJKSA-N
MW393.49 g/mol
LogP3.15
Rot. Bonds7

About N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]butyl]-1-methylazetidine-3-carboxamide

N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]butyl]-1-methylazetidine-3-carboxamide (PubChem CID 164625443) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]butyl]-1-methylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]butyl]-1-methylazetidine-3-carboxamide
PubChem CID164625443
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC NameN-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]butyl]-1-methylazetidine-3-carboxamide
SMILESCCC[C@H](NC(=O)C1CN(C)C1)c1ncc(-c2cc3ccccc3nc2OC)[nH]1
InChIInChI=1S/C22H27N5O2/c1-4-7-18(25-21(28)15-12-27(2)13-15)20-23-11-19(24-20)16-10-14-8-5-6-9-17(14)26-22(16)29-3/h5-6,8-11,15,18H,4,7,12-13H2,1-3H3,(H,23,24)(H,25,28)/t18-/m0/s1
InChIKeyCXYJWPKRZDYHBA-SFHVURJKSA-N
XLogP3.15
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]butyl]-1-methylazetidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-5-[(2-methylsulfanylbenzoyl)amino]pentyl]-1-methylazetidine-3-carboxamide
CID 164787864
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
(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
2-(1H-indol-3-yl)-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]pentyl]acetamide
CID 164625922
(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
(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
7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-[(2-pyrazin-2-ylacetyl)amino]heptanamide
CID 144617487
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
(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
1-methyl-N-[(1S)-7-oxo-1-(5-quinoxalin-2-yl-1H-imidazol-2-yl)nonyl]azetidine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 171928522

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]butyl]-1-methylazetidine-3-carboxamide?
The IUPAC name of N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]butyl]-1-methylazetidine-3-carboxamide (CID 164625443) is N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]butyl]-1-methylazetidine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]butyl]-1-methylazetidine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]butyl]-1-methylazetidine-3-carboxamide is CCC[C@H](NC(=O)C1CN(C)C1)c1ncc(-c2cc3ccccc3nc2OC)[nH]1.
What is the InChIKey of N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]butyl]-1-methylazetidine-3-carboxamide?
The InChIKey is CXYJWPKRZDYHBA-SFHVURJKSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-4-7-18(25-21(28)15-12-27(2)13-15)20-23-11-19(24-20)16-10-14-8-5-6-9-17(14)26-22(16)29-3/h5-6,8-11,15,18H,4,7,12-13H2,1-3H3,(H,23,24)(H,25,28)/t18-/m0/s1.
What are the key properties of N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]butyl]-1-methylazetidine-3-carboxamide?
N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]butyl]-1-methylazetidine-3-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]butyl]-1-methylazetidine-3-carboxamide is sourced from PubChem (CID 164625443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).