N-[(1S)-1-[5-(4-methoxyquinolin-2-yl)-1,3,4-oxadiazol-2-yl]-7-oxononyl]-1-methylazetidine-3-carboxamide

C26H33N5O4 — CID 11670175

IUPACN-[(1S)-1-[5-(4-methoxyquinolin-2-yl)-1,3,4-oxadiazol-2-yl]-7-oxononyl]-1-methylazetidine-3-carboxamide
SMILESCCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1nnc(-c2cc(OC)c3ccccc3n2)o1
InChIInChI=1S/C26H33N5O4/c1-4-18(32)10-6-5-7-13-21(28-24(33)17-15-31(2)16-17)25-29-30-26(35-25)22-14-23(34-3)19-11-8-9-12-20(19)27-22/h8-9,11-12,14,17,21H,4-7,10,13,15-16H2,1-3H3,(H,28,33)/t21-/m0/s1
InChIKeyNCOXXDKNMHUYQI-NRFANRHFSA-N
MW479.58 g/mol
LogP3.94
Rot. Bonds12

About N-[(1S)-1-[5-(4-methoxyquinolin-2-yl)-1,3,4-oxadiazol-2-yl]-7-oxononyl]-1-methylazetidine-3-carboxamide

N-[(1S)-1-[5-(4-methoxyquinolin-2-yl)-1,3,4-oxadiazol-2-yl]-7-oxononyl]-1-methylazetidine-3-carboxamide (PubChem CID 11670175) has the molecular formula C26H33N5O4 and a molecular weight of 479.58 g/mol. Its IUPAC name is N-[(1S)-1-[5-(4-methoxyquinolin-2-yl)-1,3,4-oxadiazol-2-yl]-7-oxononyl]-1-methylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[5-(4-methoxyquinolin-2-yl)-1,3,4-oxadiazol-2-yl]-7-oxononyl]-1-methylazetidine-3-carboxamide
PubChem CID11670175
Molecular FormulaC26H33N5O4
Molecular Weight479.58 g/mol
Exact Mass479.25
IUPAC NameN-[(1S)-1-[5-(4-methoxyquinolin-2-yl)-1,3,4-oxadiazol-2-yl]-7-oxononyl]-1-methylazetidine-3-carboxamide
SMILESCCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1nnc(-c2cc(OC)c3ccccc3n2)o1
InChIInChI=1S/C26H33N5O4/c1-4-18(32)10-6-5-7-13-21(28-24(33)17-15-31(2)16-17)25-29-30-26(35-25)22-14-23(34-3)19-11-8-9-12-20(19)27-22/h8-9,11-12,14,17,21H,4-7,10,13,15-16H2,1-3H3,(H,28,33)/t21-/m0/s1
InChIKeyNCOXXDKNMHUYQI-NRFANRHFSA-N
XLogP3.94
TPSA110.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[(1S)-1-[5-(4-methoxyquinolin-2-yl)-1,3,4-oxadiazol-2-yl]-7-oxononyl]-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

3-(dimethylamino)-N-[(1S)-1-[5-(4-methoxyquinolin-2-yl)-1,3,4-oxadiazol-2-yl]-7-oxononyl]propanamide
CID 87331442
1-methyl-N-[(1S)-1-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)-7-oxononyl]azetidine-3-carboxamide
CID 67267522
1-methyl-3-[[(1S)-1-[5-(1,6-naphthyridin-2-yl)-1,3,4-oxadiazol-2-yl]-7-oxononyl]carbamoyl]azetidin-1-ium-1-carboxylic acid
CID 141254991
1-methyl-N-[(1S)-7-oxo-1-[5-(2-oxo-1H-quinolin-3-yl)-1,3-oxazol-2-yl]nonyl]azetidine-3-carboxamide
CID 73054597
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
3-(2-ethylbenzimidazol-1-yl)-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1,3,4-oxadiazol-2-yl]-7-oxononyl]propanamide
CID 90036414
tert-butyl 5-[[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1,3,4-oxadiazol-2-yl]-7-oxononyl]carbamoyl]-7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate
CID 162506665
1-methyl-N-[(1S)-1-[5-[4-(2-methylpyrazol-3-yl)phenyl]-1,3-oxazol-2-yl]-7-oxononyl]azetidine-3-carboxamide
CID 90071003
3-(1H-imidazol-3-ium-3-yl)-N-[(1S)-1-[5-(4-methoxyquinolin-2-yl)-1H-imidazol-2-yl]-7-oxononyl]propanamide
CID 91059368
2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1,3,4-oxadiazol-2-yl]-7-oxononyl]acetamide
CID 73057225
(2S,4S)-4-fluoro-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]-1-methylpyrrolidine-2-carboxamide
CID 73055143
9-amino-9-[5-(2-methoxyquinolin-3-yl)-1,3,4-oxadiazol-2-yl]nonan-3-one
CID 90036259

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[5-(4-methoxyquinolin-2-yl)-1,3,4-oxadiazol-2-yl]-7-oxononyl]-1-methylazetidine-3-carboxamide?
The IUPAC name of N-[(1S)-1-[5-(4-methoxyquinolin-2-yl)-1,3,4-oxadiazol-2-yl]-7-oxononyl]-1-methylazetidine-3-carboxamide (CID 11670175) is N-[(1S)-1-[5-(4-methoxyquinolin-2-yl)-1,3,4-oxadiazol-2-yl]-7-oxononyl]-1-methylazetidine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-[5-(4-methoxyquinolin-2-yl)-1,3,4-oxadiazol-2-yl]-7-oxononyl]-1-methylazetidine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-[5-(4-methoxyquinolin-2-yl)-1,3,4-oxadiazol-2-yl]-7-oxononyl]-1-methylazetidine-3-carboxamide is CCC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1nnc(-c2cc(OC)c3ccccc3n2)o1.
What is the InChIKey of N-[(1S)-1-[5-(4-methoxyquinolin-2-yl)-1,3,4-oxadiazol-2-yl]-7-oxononyl]-1-methylazetidine-3-carboxamide?
The InChIKey is NCOXXDKNMHUYQI-NRFANRHFSA-N. The full InChI is InChI=1S/C26H33N5O4/c1-4-18(32)10-6-5-7-13-21(28-24(33)17-15-31(2)16-17)25-29-30-26(35-25)22-14-23(34-3)19-11-8-9-12-20(19)27-22/h8-9,11-12,14,17,21H,4-7,10,13,15-16H2,1-3H3,(H,28,33)/t21-/m0/s1.
What are the key properties of N-[(1S)-1-[5-(4-methoxyquinolin-2-yl)-1,3,4-oxadiazol-2-yl]-7-oxononyl]-1-methylazetidine-3-carboxamide?
N-[(1S)-1-[5-(4-methoxyquinolin-2-yl)-1,3,4-oxadiazol-2-yl]-7-oxononyl]-1-methylazetidine-3-carboxamide has a molecular weight of 479.58 g/mol, XLogP of 3.94, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[5-(4-methoxyquinolin-2-yl)-1,3,4-oxadiazol-2-yl]-7-oxononyl]-1-methylazetidine-3-carboxamide is sourced from PubChem (CID 11670175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).