tert-butyl 3-(quinolin-6-ylmethylamino)azetidine-1-carboxylate

C18H23N3O2 — CID 103748619

IUPACtert-butyl 3-(quinolin-6-ylmethylamino)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(NCc2ccc3ncccc3c2)C1
InChIInChI=1S/C18H23N3O2/c1-18(2,3)23-17(22)21-11-15(12-21)20-10-13-6-7-16-14(9-13)5-4-8-19-16/h4-9,15,20H,10-12H2,1-3H3
InChIKeyOECFDZYWBXNSLK-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.94
Rot. Bonds3

About tert-butyl 3-(quinolin-6-ylmethylamino)azetidine-1-carboxylate

tert-butyl 3-(quinolin-6-ylmethylamino)azetidine-1-carboxylate (PubChem CID 103748619) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is tert-butyl 3-(quinolin-6-ylmethylamino)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(quinolin-6-ylmethylamino)azetidine-1-carboxylate
PubChem CID103748619
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Nametert-butyl 3-(quinolin-6-ylmethylamino)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(NCc2ccc3ncccc3c2)C1
InChIInChI=1S/C18H23N3O2/c1-18(2,3)23-17(22)21-11-15(12-21)20-10-13-6-7-16-14(9-13)5-4-8-19-16/h4-9,15,20H,10-12H2,1-3H3
InChIKeyOECFDZYWBXNSLK-UHFFFAOYSA-N
XLogP2.94
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-(quinolin-8-ylmethylamino)azetidine-1-carboxylate
CID 103740770
tert-butyl 4-(quinolin-6-ylmethyl)piperidine-1-carboxylate
CID 174880299
tert-butyl 3-[(3,4-dihydroxyphenyl)methylamino]azetidine-1-carboxylate
CID 103953629
tert-butyl 3-[(3-methoxyphenyl)methylamino]azetidine-1-carboxylate
CID 63303226
tert-butyl 3-[(3-bromo-4-methylphenyl)methylamino]azetidine-1-carboxylate
CID 107241926
tert-butyl 3-[(3-chloro-4-methylphenyl)methylamino]azetidine-1-carboxylate
CID 107241821
tert-butyl 3-[(4-bromo-3-fluorophenyl)methylamino]azetidine-1-carboxylate
CID 107241799
tert-butyl 3-[(4-methoxy-3-methylphenyl)methylamino]azetidine-1-carboxylate
CID 103748537
tert-butyl 3-[(3-bromo-4-chlorophenyl)methylamino]azetidine-1-carboxylate
CID 107241982
4-(quinolin-6-ylmethylamino)cyclohexane-1-carboxamide
CID 61042772
tert-butyl 3-(2-quinolin-8-ylethylamino)azetidine-1-carboxylate
CID 113263719
N-(quinolin-6-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 104694189

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(quinolin-6-ylmethylamino)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(quinolin-6-ylmethylamino)azetidine-1-carboxylate (CID 103748619) is tert-butyl 3-(quinolin-6-ylmethylamino)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(quinolin-6-ylmethylamino)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(quinolin-6-ylmethylamino)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(NCc2ccc3ncccc3c2)C1.
What is the InChIKey of tert-butyl 3-(quinolin-6-ylmethylamino)azetidine-1-carboxylate?
The InChIKey is OECFDZYWBXNSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-18(2,3)23-17(22)21-11-15(12-21)20-10-13-6-7-16-14(9-13)5-4-8-19-16/h4-9,15,20H,10-12H2,1-3H3.
What are the key properties of tert-butyl 3-(quinolin-6-ylmethylamino)azetidine-1-carboxylate?
tert-butyl 3-(quinolin-6-ylmethylamino)azetidine-1-carboxylate has a molecular weight of 313.40 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(quinolin-6-ylmethylamino)azetidine-1-carboxylate is sourced from PubChem (CID 103748619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).