tert-butyl N-[2-(quinolin-3-ylmethyl)butyl]carbamate

C19H26N2O2 — CID 139378061

IUPACtert-butyl N-[2-(quinolin-3-ylmethyl)butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)Cc1cnc2ccccc2c1
InChIInChI=1S/C19H26N2O2/c1-5-14(12-21-18(22)23-19(2,3)4)10-15-11-16-8-6-7-9-17(16)20-13-15/h6-9,11,13-14H,5,10,12H2,1-4H3,(H,21,22)
InChIKeyYBGDYAJTSSNFLJ-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.33
Rot. Bonds5

About tert-butyl N-[2-(quinolin-3-ylmethyl)butyl]carbamate

tert-butyl N-[2-(quinolin-3-ylmethyl)butyl]carbamate (PubChem CID 139378061) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is tert-butyl N-[2-(quinolin-3-ylmethyl)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(quinolin-3-ylmethyl)butyl]carbamate
PubChem CID139378061
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Nametert-butyl N-[2-(quinolin-3-ylmethyl)butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)Cc1cnc2ccccc2c1
InChIInChI=1S/C19H26N2O2/c1-5-14(12-21-18(22)23-19(2,3)4)10-15-11-16-8-6-7-9-17(16)20-13-15/h6-9,11,13-14H,5,10,12H2,1-4H3,(H,21,22)
InChIKeyYBGDYAJTSSNFLJ-UHFFFAOYSA-N
XLogP4.33
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2-oxo-3-quinolin-3-ylpropyl)carbamate
CID 59029475
tert-butyl N-[2-[(2-fluoro-4-pyridinyl)methyl]butyl]carbamate
CID 139378135
methyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]-3-quinolin-3-ylheptanoate
CID 54507168
2-ethyl-N-(quinolin-3-ylmethyl)butanamide
CID 110733756
3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-quinolin-3-ylpropanoic acid
CID 59681968
tert-butyl N-[2-(aminomethyl)-3-(3-fluorophenyl)propyl]carbamate
CID 84730610
tert-butyl [(Z)-3-quinolin-3-ylprop-1-enyl] carbonate
CID 69349929
N-(2-tert-butylsulfanylethyl)-2-quinolin-3-ylacetamide
CID 99629161
3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]quinoline-2-carboxylic acid
CID 177053270
2-methyl-N-(quinolin-3-ylmethyl)propanamide
CID 110733747
tert-butyl N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]carbamate
CID 21341518
tert-butyl N-[(3aR,4R,6aR)-2-(quinolin-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate
CID 100686143

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(quinolin-3-ylmethyl)butyl]carbamate?
The IUPAC name of tert-butyl N-[2-(quinolin-3-ylmethyl)butyl]carbamate (CID 139378061) is tert-butyl N-[2-(quinolin-3-ylmethyl)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(quinolin-3-ylmethyl)butyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(quinolin-3-ylmethyl)butyl]carbamate is CCC(CNC(=O)OC(C)(C)C)Cc1cnc2ccccc2c1.
What is the InChIKey of tert-butyl N-[2-(quinolin-3-ylmethyl)butyl]carbamate?
The InChIKey is YBGDYAJTSSNFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-5-14(12-21-18(22)23-19(2,3)4)10-15-11-16-8-6-7-9-17(16)20-13-15/h6-9,11,13-14H,5,10,12H2,1-4H3,(H,21,22).
What are the key properties of tert-butyl N-[2-(quinolin-3-ylmethyl)butyl]carbamate?
tert-butyl N-[2-(quinolin-3-ylmethyl)butyl]carbamate has a molecular weight of 314.43 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(quinolin-3-ylmethyl)butyl]carbamate is sourced from PubChem (CID 139378061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).