tert-butyl N-[4-(hydroxymethyl)quinolin-2-yl]carbamate

C15H18N2O3 — CID 118669396

IUPACtert-butyl N-[4-(hydroxymethyl)quinolin-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(CO)c2ccccc2n1
InChIInChI=1S/C15H18N2O3/c1-15(2,3)20-14(19)17-13-8-10(9-18)11-6-4-5-7-12(11)16-13/h4-8,18H,9H2,1-3H3,(H,16,17,19)
InChIKeyXDNPROLUGGQIIN-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.07
Rot. Bonds2

About tert-butyl N-[4-(hydroxymethyl)quinolin-2-yl]carbamate

tert-butyl N-[4-(hydroxymethyl)quinolin-2-yl]carbamate (PubChem CID 118669396) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is tert-butyl N-[4-(hydroxymethyl)quinolin-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(hydroxymethyl)quinolin-2-yl]carbamate
PubChem CID118669396
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Nametert-butyl N-[4-(hydroxymethyl)quinolin-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(CO)c2ccccc2n1
InChIInChI=1S/C15H18N2O3/c1-15(2,3)20-14(19)17-13-8-10(9-18)11-6-4-5-7-12(11)16-13/h4-8,18H,9H2,1-3H3,(H,16,17,19)
InChIKeyXDNPROLUGGQIIN-UHFFFAOYSA-N
XLogP3.07
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(4-acetylquinolin-2-yl)carbamate
CID 118689136
tert-butyl N-(4-chloro-6-methylquinolin-2-yl)carbamate
CID 14991373
tert-butyl N-[5,6-bis(hydroxymethyl)-2-phenyl-3-pyridinyl]carbamate
CID 118411498
tert-butyl N-[2,4-bis(difluoromethyl)quinolin-3-yl]carbamate
CID 155691123
tert-butyl N-[3-[(4-methoxyquinolin-2-yl)amino]propyl]carbamate
CID 57437795
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]quinoline-2-carboxylic acid
CID 157399195
tert-butyl N-[4-ethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]carbamate;ethylbenzene;prop-1-yne
CID 142394079
tert-butyl N-[6-(2-hydroxyethyl)-2-pyridinyl]carbamate
CID 22347558
tert-butyl N-[4-(acridin-9-ylamino)butyl]carbamate
CID 11291507
tert-butyl N-[2-(hydroxymethyl)-4-methylphenyl]carbamate
CID 68583241
tert-butyl N-(3-fluoro-4-phenylmethoxynaphthalen-2-yl)carbamate
CID 171099839
tert-butyl N-[3-(hydroxymethyl)-4-methylphenyl]carbamate
CID 58614987

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(hydroxymethyl)quinolin-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(hydroxymethyl)quinolin-2-yl]carbamate (CID 118669396) is tert-butyl N-[4-(hydroxymethyl)quinolin-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(hydroxymethyl)quinolin-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(hydroxymethyl)quinolin-2-yl]carbamate is CC(C)(C)OC(=O)Nc1cc(CO)c2ccccc2n1.
What is the InChIKey of tert-butyl N-[4-(hydroxymethyl)quinolin-2-yl]carbamate?
The InChIKey is XDNPROLUGGQIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-15(2,3)20-14(19)17-13-8-10(9-18)11-6-4-5-7-12(11)16-13/h4-8,18H,9H2,1-3H3,(H,16,17,19).
What are the key properties of tert-butyl N-[4-(hydroxymethyl)quinolin-2-yl]carbamate?
tert-butyl N-[4-(hydroxymethyl)quinolin-2-yl]carbamate has a molecular weight of 274.32 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(hydroxymethyl)quinolin-2-yl]carbamate is sourced from PubChem (CID 118669396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).