N-(4-methylphenyl)-3-quinolin-2-yloxyazetidine-1-carboxamide

C20H19N3O2 — CID 122250544

IUPACN-(4-methylphenyl)-3-quinolin-2-yloxyazetidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CC(Oc3ccc4ccccc4n3)C2)cc1
InChIInChI=1S/C20H19N3O2/c1-14-6-9-16(10-7-14)21-20(24)23-12-17(13-23)25-19-11-8-15-4-2-3-5-18(15)22-19/h2-11,17H,12-13H2,1H3,(H,21,24)
InChIKeyLKBDCKQPTWSXLF-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.84
Rot. Bonds3

About N-(4-methylphenyl)-3-quinolin-2-yloxyazetidine-1-carboxamide

N-(4-methylphenyl)-3-quinolin-2-yloxyazetidine-1-carboxamide (PubChem CID 122250544) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(4-methylphenyl)-3-quinolin-2-yloxyazetidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-3-quinolin-2-yloxyazetidine-1-carboxamide
PubChem CID122250544
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-(4-methylphenyl)-3-quinolin-2-yloxyazetidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CC(Oc3ccc4ccccc4n3)C2)cc1
InChIInChI=1S/C20H19N3O2/c1-14-6-9-16(10-7-14)21-20(24)23-12-17(13-23)25-19-11-8-15-4-2-3-5-18(15)22-19/h2-11,17H,12-13H2,1H3,(H,21,24)
InChIKeyLKBDCKQPTWSXLF-UHFFFAOYSA-N
XLogP3.84
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Ethyl-3-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]urea
CID 10151492
1-Ethyl-3-[2-(2-methoxyquinolin-8-yl)ethyl]urea
CID 137636213
2-(2-Methoxyquinolin-8-yl)ethylurea
CID 137639112
1-[2-(2-Methoxyquinolin-8-yl)ethyl]-3-methylurea
CID 137647756
4-Methyl-2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]quinoline iodide
CID 9550335
1-(2-Methoxyphenyl)-3-(2-methylquinolin-4-yl)urea
CID 9948507
(E)-N-[2-(2-Dimethylamino-ethoxy)-4-methyl-quinolin-6-yl]-3-(4-trifluoromethoxy-phenyl)-acrylamide
CID 11662564
2-(3-methylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide
CID 4915923
N-[(2-methylquinolin-4-yl)methyl]-2-phenoxyacetamide
CID 1504524
4-(2-((4-Methylquinolin-2-yl)oxy)ethyl)morpholine hydrochloride
CID 2958972
4-Methyl-2-(2-(piperidin-1-yl)ethoxy)quinoline hydrochloride
CID 6602778
N-[4-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]acetamide
CID 24865540

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-3-quinolin-2-yloxyazetidine-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)-3-quinolin-2-yloxyazetidine-1-carboxamide (CID 122250544) is N-(4-methylphenyl)-3-quinolin-2-yloxyazetidine-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-3-quinolin-2-yloxyazetidine-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-3-quinolin-2-yloxyazetidine-1-carboxamide is Cc1ccc(NC(=O)N2CC(Oc3ccc4ccccc4n3)C2)cc1.
What is the InChIKey of N-(4-methylphenyl)-3-quinolin-2-yloxyazetidine-1-carboxamide?
The InChIKey is LKBDCKQPTWSXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-14-6-9-16(10-7-14)21-20(24)23-12-17(13-23)25-19-11-8-15-4-2-3-5-18(15)22-19/h2-11,17H,12-13H2,1H3,(H,21,24).
What are the key properties of N-(4-methylphenyl)-3-quinolin-2-yloxyazetidine-1-carboxamide?
N-(4-methylphenyl)-3-quinolin-2-yloxyazetidine-1-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-3-quinolin-2-yloxyazetidine-1-carboxamide is sourced from PubChem (CID 122250544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).