N-benzhydryl-3-quinolin-2-yloxyazetidine-1-carboxamide

C26H23N3O2 — CID 122250579

IUPACN-benzhydryl-3-quinolin-2-yloxyazetidine-1-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)N1CC(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C26H23N3O2/c30-26(28-25(20-10-3-1-4-11-20)21-12-5-2-6-13-21)29-17-22(18-29)31-24-16-15-19-9-7-8-14-23(19)27-24/h1-16,22,25H,17-18H2,(H,28,30)
InChIKeyFKNLBNFJSYYOMX-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.80
Rot. Bonds5

About N-benzhydryl-3-quinolin-2-yloxyazetidine-1-carboxamide

N-benzhydryl-3-quinolin-2-yloxyazetidine-1-carboxamide (PubChem CID 122250579) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-benzhydryl-3-quinolin-2-yloxyazetidine-1-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-3-quinolin-2-yloxyazetidine-1-carboxamide
PubChem CID122250579
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC NameN-benzhydryl-3-quinolin-2-yloxyazetidine-1-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)N1CC(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C26H23N3O2/c30-26(28-25(20-10-3-1-4-11-20)21-12-5-2-6-13-21)29-17-22(18-29)31-24-16-15-19-9-7-8-14-23(19)27-24/h1-16,22,25H,17-18H2,(H,28,30)
InChIKeyFKNLBNFJSYYOMX-UHFFFAOYSA-N
XLogP4.80
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-3-quinolin-2-yloxyazetidine-1-carboxamide
CID 122250544
3-phenylsulfanyl-1-(3-quinolin-2-yloxyazetidin-1-yl)propan-1-one
CID 122250433
3-chloro-1-(3-quinolin-2-yloxyazetidin-1-yl)propan-1-one
CID 122250273
N-[(4-methoxyphenyl)methyl]-3-quinolin-2-yloxyazetidine-1-carboxamide
CID 122250572
(2-fluorophenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250299
(4-methylpiperazin-1-yl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250593
N-[4-methylsulfanyl-1-oxo-1-(3-quinolin-2-yloxyazetidin-1-yl)butan-2-yl]acetamide
CID 122250483
pyridin-3-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250415
(4-methoxyphenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250286
1H-indol-2-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250203
1,2-oxazol-5-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250187
(5-bromo-2-chlorophenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250314

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3-quinolin-2-yloxyazetidine-1-carboxamide?
The IUPAC name of N-benzhydryl-3-quinolin-2-yloxyazetidine-1-carboxamide (CID 122250579) is N-benzhydryl-3-quinolin-2-yloxyazetidine-1-carboxamide.
What is the SMILES notation for N-benzhydryl-3-quinolin-2-yloxyazetidine-1-carboxamide?
The canonical SMILES for N-benzhydryl-3-quinolin-2-yloxyazetidine-1-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)N1CC(Oc2ccc3ccccc3n2)C1.
What is the InChIKey of N-benzhydryl-3-quinolin-2-yloxyazetidine-1-carboxamide?
The InChIKey is FKNLBNFJSYYOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c30-26(28-25(20-10-3-1-4-11-20)21-12-5-2-6-13-21)29-17-22(18-29)31-24-16-15-19-9-7-8-14-23(19)27-24/h1-16,22,25H,17-18H2,(H,28,30).
What are the key properties of N-benzhydryl-3-quinolin-2-yloxyazetidine-1-carboxamide?
N-benzhydryl-3-quinolin-2-yloxyazetidine-1-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-quinolin-2-yloxyazetidine-1-carboxamide is sourced from PubChem (CID 122250579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).