3-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methylphenyl)azetidine-1-carboxamide

C20H23N3O — CID 23139882

IUPAC3-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methylphenyl)azetidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CC(N3CCCc4ccccc43)C2)c1
InChIInChI=1S/C20H23N3O/c1-15-6-4-9-17(12-15)21-20(24)22-13-18(14-22)23-11-5-8-16-7-2-3-10-19(16)23/h2-4,6-7,9-10,12,18H,5,8,11,13-14H2,1H3,(H,21,24)
InChIKeyNRTKXTQNHVNTPH-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.66
Rot. Bonds2

About 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methylphenyl)azetidine-1-carboxamide

3-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methylphenyl)azetidine-1-carboxamide (PubChem CID 23139882) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methylphenyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methylphenyl)azetidine-1-carboxamide
PubChem CID23139882
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methylphenyl)azetidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CC(N3CCCc4ccccc43)C2)c1
InChIInChI=1S/C20H23N3O/c1-15-6-4-9-17(12-15)21-20(24)22-13-18(14-22)23-11-5-8-16-7-2-3-10-19(16)23/h2-4,6-7,9-10,12,18H,5,8,11,13-14H2,1H3,(H,21,24)
InChIKeyNRTKXTQNHVNTPH-UHFFFAOYSA-N
XLogP3.66
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carboxamide
CID 23140704
methyl 3-[[3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carbonyl]amino]benzoate
CID 23140713
N-(4-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carboxamide
CID 23140123
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide
CID 23140532
(3S,4R)-3,4-dihydroxy-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 79411041
4-cyclopropylidene-N-(3-methylphenyl)piperidine-1-carboxamide
CID 121187164
3-(2,3-dihydroindol-1-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide
CID 23140046
N-(3-methylphenyl)-2-oxopyrrolidine-1-carboxamide
CID 71380614
3-(2,5-dioxoimidazolidin-1-yl)-N-(3-methylphenyl)azetidine-1-carboxamide
CID 121159564
(3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 51458679
3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-1-carboxylic acid
CID 67493051
3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 47323838

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methylphenyl)azetidine-1-carboxamide?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methylphenyl)azetidine-1-carboxamide (CID 23139882) is 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methylphenyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methylphenyl)azetidine-1-carboxamide?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methylphenyl)azetidine-1-carboxamide is Cc1cccc(NC(=O)N2CC(N3CCCc4ccccc43)C2)c1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methylphenyl)azetidine-1-carboxamide?
The InChIKey is NRTKXTQNHVNTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-15-6-4-9-17(12-15)21-20(24)22-13-18(14-22)23-11-5-8-16-7-2-3-10-19(16)23/h2-4,6-7,9-10,12,18H,5,8,11,13-14H2,1H3,(H,21,24).
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methylphenyl)azetidine-1-carboxamide?
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methylphenyl)azetidine-1-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methylphenyl)azetidine-1-carboxamide is sourced from PubChem (CID 23139882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).