N-(2-methylquinolin-4-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide

C19H17N3O2S — CID 90511166

IUPACN-(2-methylquinolin-4-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CN(C(=O)c3cccs3)C2)c2ccccc2n1
InChIInChI=1S/C19H17N3O2S/c1-12-9-16(14-5-2-3-6-15(14)20-12)21-18(23)13-10-22(11-13)19(24)17-7-4-8-25-17/h2-9,13H,10-11H2,1H3,(H,20,21,23)
InChIKeyJOOVQHKJCQFJOX-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.32
Rot. Bonds3

About N-(2-methylquinolin-4-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide

N-(2-methylquinolin-4-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide (PubChem CID 90511166) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-(2-methylquinolin-4-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylquinolin-4-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
PubChem CID90511166
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC NameN-(2-methylquinolin-4-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CN(C(=O)c3cccs3)C2)c2ccccc2n1
InChIInChI=1S/C19H17N3O2S/c1-12-9-16(14-5-2-3-6-15(14)20-12)21-18(23)13-10-22(11-13)19(24)17-7-4-8-25-17/h2-9,13H,10-11H2,1H3,(H,20,21,23)
InChIKeyJOOVQHKJCQFJOX-UHFFFAOYSA-N
XLogP3.32
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511075
N-(2-methylquinolin-4-yl)azepane-1-carboxamide
CID 115882563
N-(2-nitrophenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511092
N-benzyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511042
N-(4-bromo-3-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511161
N-pyridin-3-yl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511163
N-(3,4-dimethoxyphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511138
N'-(4,6-dimethylpyrimidin-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carbohydrazide
CID 46557972
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90510951
(3S)-N-(2,4-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 95160432
N-[3-(difluoromethoxy)phenyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511249
2-amino-N-(2-methylquinolin-4-yl)cyclopentane-1-carboxamide
CID 64817916

Frequently Asked Questions

What is the IUPAC name of N-(2-methylquinolin-4-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-(2-methylquinolin-4-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide (CID 90511166) is N-(2-methylquinolin-4-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-(2-methylquinolin-4-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-(2-methylquinolin-4-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide is Cc1cc(NC(=O)C2CN(C(=O)c3cccs3)C2)c2ccccc2n1.
What is the InChIKey of N-(2-methylquinolin-4-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
The InChIKey is JOOVQHKJCQFJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-12-9-16(14-5-2-3-6-15(14)20-12)21-18(23)13-10-22(11-13)19(24)17-7-4-8-25-17/h2-9,13H,10-11H2,1H3,(H,20,21,23).
What are the key properties of N-(2-methylquinolin-4-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
N-(2-methylquinolin-4-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylquinolin-4-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 90511166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).