tert-butyl 3-[(7-methoxy-2-oxoquinolin-1-yl)methyl]azetidine-1-carboxylate

C19H24N2O4 — CID 67130938

IUPACtert-butyl 3-[(7-methoxy-2-oxoquinolin-1-yl)methyl]azetidine-1-carboxylate
SMILESCOc1ccc2ccc(=O)n(CC3CN(C(=O)OC(C)(C)C)C3)c2c1
InChIInChI=1S/C19H24N2O4/c1-19(2,3)25-18(23)20-10-13(11-20)12-21-16-9-15(24-4)7-5-14(16)6-8-17(21)22/h5-9,13H,10-12H2,1-4H3
InChIKeyDSPOBNIKKRWIGF-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.88
Rot. Bonds3

About tert-butyl 3-[(7-methoxy-2-oxoquinolin-1-yl)methyl]azetidine-1-carboxylate

tert-butyl 3-[(7-methoxy-2-oxoquinolin-1-yl)methyl]azetidine-1-carboxylate (PubChem CID 67130938) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is tert-butyl 3-[(7-methoxy-2-oxoquinolin-1-yl)methyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(7-methoxy-2-oxoquinolin-1-yl)methyl]azetidine-1-carboxylate
PubChem CID67130938
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Nametert-butyl 3-[(7-methoxy-2-oxoquinolin-1-yl)methyl]azetidine-1-carboxylate
SMILESCOc1ccc2ccc(=O)n(CC3CN(C(=O)OC(C)(C)C)C3)c2c1
InChIInChI=1S/C19H24N2O4/c1-19(2,3)25-18(23)20-10-13(11-20)12-21-16-9-15(24-4)7-5-14(16)6-8-17(21)22/h5-9,13H,10-12H2,1-4H3
InChIKeyDSPOBNIKKRWIGF-UHFFFAOYSA-N
XLogP2.88
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (3R)-4-(6-methoxy-1-methylindole-2-carbonyl)-3-methylpiperazine-1-carboxylate
CID 146318904
tert-butyl (3S)-4-(6-methoxy-1-methylindole-2-carbonyl)-3-methylpiperazine-1-carboxylate;6-methoxy-1-methylindole
CID 146318920
tert-butyl-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid
CID 66774842
3-(7-methoxy-2-oxoquinolin-1-yl)propanoic acid
CID 68631645
tert-butyl 7-[(4-methoxyphenyl)methyl]-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
CID 129276127
tert-butyl 3-(3-methoxyphenyl)azetidine-1-carboxylate
CID 171716686
tert-butyl 3-[(3-methoxyphenyl)methylamino]azetidine-1-carboxylate
CID 63303226
tert-butyl 3-[bis[(4-methoxyphenyl)methyl]sulfinamoyl]azetidine-1-carboxylate
CID 137403777
tert-butyl 3-[(3-bromo-4-methoxyphenoxy)methyl]azetidine-1-carboxylate
CID 155798187
tert-butyl 3-[2-[(4-methoxyphenyl)methylsulfamoyl]ethyl]azetidine-1-carboxylate
CID 163274974
tert-butyl 3-(7-methoxy-4-oxo-2,3-dihydrochromen-2-yl)azetidine-1-carboxylate
CID 121301333
tert-butyl 3-[(2,5-dimethoxyphenyl)methylamino]azetidine-1-carboxylate
CID 103740758

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(7-methoxy-2-oxoquinolin-1-yl)methyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(7-methoxy-2-oxoquinolin-1-yl)methyl]azetidine-1-carboxylate (CID 67130938) is tert-butyl 3-[(7-methoxy-2-oxoquinolin-1-yl)methyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(7-methoxy-2-oxoquinolin-1-yl)methyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(7-methoxy-2-oxoquinolin-1-yl)methyl]azetidine-1-carboxylate is COc1ccc2ccc(=O)n(CC3CN(C(=O)OC(C)(C)C)C3)c2c1.
What is the InChIKey of tert-butyl 3-[(7-methoxy-2-oxoquinolin-1-yl)methyl]azetidine-1-carboxylate?
The InChIKey is DSPOBNIKKRWIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-19(2,3)25-18(23)20-10-13(11-20)12-21-16-9-15(24-4)7-5-14(16)6-8-17(21)22/h5-9,13H,10-12H2,1-4H3.
What are the key properties of tert-butyl 3-[(7-methoxy-2-oxoquinolin-1-yl)methyl]azetidine-1-carboxylate?
tert-butyl 3-[(7-methoxy-2-oxoquinolin-1-yl)methyl]azetidine-1-carboxylate has a molecular weight of 344.41 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(7-methoxy-2-oxoquinolin-1-yl)methyl]azetidine-1-carboxylate is sourced from PubChem (CID 67130938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).