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

C15H17N3O — CID 171701055

IUPACN-methyl-1-(4-methylquinolin-2-yl)azetidine-3-carboxamide
SMILESCNC(=O)C1CN(c2cc(C)c3ccccc3n2)C1
InChIInChI=1S/C15H17N3O/c1-10-7-14(17-13-6-4-3-5-12(10)13)18-8-11(9-18)15(19)16-2/h3-7,11H,8-9H2,1-2H3,(H,16,19)
InChIKeyLBBMYWNODSJXDW-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.73
Rot. Bonds2

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

N-methyl-1-(4-methylquinolin-2-yl)azetidine-3-carboxamide (PubChem CID 171701055) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-methyl-1-(4-methylquinolin-2-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(4-methylquinolin-2-yl)azetidine-3-carboxamide
PubChem CID171701055
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-methyl-1-(4-methylquinolin-2-yl)azetidine-3-carboxamide
SMILESCNC(=O)C1CN(c2cc(C)c3ccccc3n2)C1
InChIInChI=1S/C15H17N3O/c1-10-7-14(17-13-6-4-3-5-12(10)13)18-8-11(9-18)15(19)16-2/h3-7,11H,8-9H2,1-2H3,(H,16,19)
InChIKeyLBBMYWNODSJXDW-UHFFFAOYSA-N
XLogP1.73
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylquinolin-2-yl)azetidine-3-carboxamide?
The IUPAC name of N-methyl-1-(4-methylquinolin-2-yl)azetidine-3-carboxamide (CID 171701055) is N-methyl-1-(4-methylquinolin-2-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-(4-methylquinolin-2-yl)azetidine-3-carboxamide?
The canonical SMILES for N-methyl-1-(4-methylquinolin-2-yl)azetidine-3-carboxamide is CNC(=O)C1CN(c2cc(C)c3ccccc3n2)C1.
What is the InChIKey of N-methyl-1-(4-methylquinolin-2-yl)azetidine-3-carboxamide?
The InChIKey is LBBMYWNODSJXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10-7-14(17-13-6-4-3-5-12(10)13)18-8-11(9-18)15(19)16-2/h3-7,11H,8-9H2,1-2H3,(H,16,19).
What are the key properties of N-methyl-1-(4-methylquinolin-2-yl)azetidine-3-carboxamide?
N-methyl-1-(4-methylquinolin-2-yl)azetidine-3-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylquinolin-2-yl)azetidine-3-carboxamide is sourced from PubChem (CID 171701055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).