N-[(4-methoxyphenyl)methyl]-3-quinolin-2-yloxyazetidine-1-carboxamide

C21H21N3O3 — CID 122250572

IUPACN-[(4-methoxyphenyl)methyl]-3-quinolin-2-yloxyazetidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CC(Oc3ccc4ccccc4n3)C2)cc1
InChIInChI=1S/C21H21N3O3/c1-26-17-9-6-15(7-10-17)12-22-21(25)24-13-18(14-24)27-20-11-8-16-4-2-3-5-19(16)23-20/h2-11,18H,12-14H2,1H3,(H,22,25)
InChIKeyOGSJPNQLMJGSIA-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.22
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-3-quinolin-2-yloxyazetidine-1-carboxamide

N-[(4-methoxyphenyl)methyl]-3-quinolin-2-yloxyazetidine-1-carboxamide (PubChem CID 122250572) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-quinolin-2-yloxyazetidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-quinolin-2-yloxyazetidine-1-carboxamide
PubChem CID122250572
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-quinolin-2-yloxyazetidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CC(Oc3ccc4ccccc4n3)C2)cc1
InChIInChI=1S/C21H21N3O3/c1-26-17-9-6-15(7-10-17)12-22-21(25)24-13-18(14-24)27-20-11-8-16-4-2-3-5-19(16)23-20/h2-11,18H,12-14H2,1H3,(H,22,25)
InChIKeyOGSJPNQLMJGSIA-UHFFFAOYSA-N
XLogP3.22
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxyphenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250286
3-[(5-chloro-2-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide
CID 122248507
3-[(3-bromo-2-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide
CID 122250099
N-(4-methylphenyl)-3-quinolin-2-yloxyazetidine-1-carboxamide
CID 122250544
N-benzhydryl-3-quinolin-2-yloxyazetidine-1-carboxamide
CID 122250579
(4-methylpiperazin-1-yl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250593
N-[(4-methoxyphenyl)methyl]-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122261595
3-chloro-1-(3-quinolin-2-yloxyazetidin-1-yl)propan-1-one
CID 122250273
ethyl 4-oxo-4-(3-quinolin-2-yloxyazetidin-1-yl)butanoate
CID 122250271
N-benzyl-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90637578
(1S,5R)-N-[(4-methoxyphenyl)methyl]-7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide
CID 163339915
(3-methoxy-1-methylpyrazol-4-yl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone
CID 91815847

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-quinolin-2-yloxyazetidine-1-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-quinolin-2-yloxyazetidine-1-carboxamide (CID 122250572) is N-[(4-methoxyphenyl)methyl]-3-quinolin-2-yloxyazetidine-1-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-quinolin-2-yloxyazetidine-1-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-quinolin-2-yloxyazetidine-1-carboxamide is COc1ccc(CNC(=O)N2CC(Oc3ccc4ccccc4n3)C2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-quinolin-2-yloxyazetidine-1-carboxamide?
The InChIKey is OGSJPNQLMJGSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-26-17-9-6-15(7-10-17)12-22-21(25)24-13-18(14-24)27-20-11-8-16-4-2-3-5-19(16)23-20/h2-11,18H,12-14H2,1H3,(H,22,25).
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-quinolin-2-yloxyazetidine-1-carboxamide?
N-[(4-methoxyphenyl)methyl]-3-quinolin-2-yloxyazetidine-1-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-quinolin-2-yloxyazetidine-1-carboxamide is sourced from PubChem (CID 122250572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).