N-cyclopropyl-1-(6-methoxyquinolin-2-yl)azetidine-3-carboxamide

C17H19N3O2 — CID 171328605

IUPACN-cyclopropyl-1-(6-methoxyquinolin-2-yl)azetidine-3-carboxamide
SMILESCOc1ccc2nc(N3CC(C(=O)NC4CC4)C3)ccc2c1
InChIInChI=1S/C17H19N3O2/c1-22-14-5-6-15-11(8-14)2-7-16(19-15)20-9-12(10-20)17(21)18-13-3-4-13/h2,5-8,12-13H,3-4,9-10H2,1H3,(H,18,21)
InChIKeyNPZFRJVKDPWMRH-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.96
Rot. Bonds4

About N-cyclopropyl-1-(6-methoxyquinolin-2-yl)azetidine-3-carboxamide

N-cyclopropyl-1-(6-methoxyquinolin-2-yl)azetidine-3-carboxamide (PubChem CID 171328605) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-cyclopropyl-1-(6-methoxyquinolin-2-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(6-methoxyquinolin-2-yl)azetidine-3-carboxamide
PubChem CID171328605
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-cyclopropyl-1-(6-methoxyquinolin-2-yl)azetidine-3-carboxamide
SMILESCOc1ccc2nc(N3CC(C(=O)NC4CC4)C3)ccc2c1
InChIInChI=1S/C17H19N3O2/c1-22-14-5-6-15-11(8-14)2-7-16(19-15)20-9-12(10-20)17(21)18-13-3-4-13/h2,5-8,12-13H,3-4,9-10H2,1H3,(H,18,21)
InChIKeyNPZFRJVKDPWMRH-UHFFFAOYSA-N
XLogP1.96
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclobutyl-2-[1-(6-methoxyquinolin-2-yl)piperidin-4-yl]acetamide
CID 172881536
6-methoxy-2-piperidin-1-ylquinoline
CID 143398989
ethyl 1-(6-methoxyquinolin-2-yl)piperidine-4-carboxylate
CID 141431671
(3S,4S)-1-(6-methoxyquinolin-2-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120923437
N-[1-(6-methoxyquinolin-2-yl)piperidin-3-yl]methanesulfonamide
CID 163354804
N-cyclopropyl-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519842
2-(4-cyclopropylpiperazin-1-yl)-6-methoxyquinoline;dihydrochloride
CID 11302721
(3R)-N-cyclooctyl-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92888286
N-[4-(cyclopropanecarbonylamino)phenyl]-6-methoxyquinoline-2-carboxamide
CID 24601678
[4-(6-methoxyquinolin-2-yl)morpholin-2-yl]-morpholin-4-ylmethanone
CID 163346353
N-cyclopropyl-1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-3-carboxamide
CID 49352371
2-[1-(6-methoxyquinolin-2-yl)piperidin-3-yl]oxyethanol
CID 133315183

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(6-methoxyquinolin-2-yl)azetidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-(6-methoxyquinolin-2-yl)azetidine-3-carboxamide (CID 171328605) is N-cyclopropyl-1-(6-methoxyquinolin-2-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(6-methoxyquinolin-2-yl)azetidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(6-methoxyquinolin-2-yl)azetidine-3-carboxamide is COc1ccc2nc(N3CC(C(=O)NC4CC4)C3)ccc2c1.
What is the InChIKey of N-cyclopropyl-1-(6-methoxyquinolin-2-yl)azetidine-3-carboxamide?
The InChIKey is NPZFRJVKDPWMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-22-14-5-6-15-11(8-14)2-7-16(19-15)20-9-12(10-20)17(21)18-13-3-4-13/h2,5-8,12-13H,3-4,9-10H2,1H3,(H,18,21).
What are the key properties of N-cyclopropyl-1-(6-methoxyquinolin-2-yl)azetidine-3-carboxamide?
N-cyclopropyl-1-(6-methoxyquinolin-2-yl)azetidine-3-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(6-methoxyquinolin-2-yl)azetidine-3-carboxamide is sourced from PubChem (CID 171328605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).