tert-butyl N-[4-(4-bromo-6-pyridin-4-ylquinolin-2-yl)-3-methylbutyl]carbamate

C24H28BrN3O2 — CID 118279764

IUPACtert-butyl N-[4-(4-bromo-6-pyridin-4-ylquinolin-2-yl)-3-methylbutyl]carbamate
SMILESCC(CCNC(=O)OC(C)(C)C)Cc1cc(Br)c2cc(-c3ccncc3)ccc2n1
InChIInChI=1S/C24H28BrN3O2/c1-16(7-12-27-23(29)30-24(2,3)4)13-19-15-21(25)20-14-18(5-6-22(20)28-19)17-8-10-26-11-9-17/h5-6,8-11,14-16H,7,12-13H2,1-4H3,(H,27,29)
InChIKeyZYSJIAARVSNOKA-UHFFFAOYSA-N
MW470.41 g/mol
LogP6.15
Rot. Bonds6

About tert-butyl N-[4-(4-bromo-6-pyridin-4-ylquinolin-2-yl)-3-methylbutyl]carbamate

tert-butyl N-[4-(4-bromo-6-pyridin-4-ylquinolin-2-yl)-3-methylbutyl]carbamate (PubChem CID 118279764) has the molecular formula C24H28BrN3O2 and a molecular weight of 470.41 g/mol. Its IUPAC name is tert-butyl N-[4-(4-bromo-6-pyridin-4-ylquinolin-2-yl)-3-methylbutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(4-bromo-6-pyridin-4-ylquinolin-2-yl)-3-methylbutyl]carbamate
PubChem CID118279764
Molecular FormulaC24H28BrN3O2
Molecular Weight470.41 g/mol
Exact Mass469.14
IUPAC Nametert-butyl N-[4-(4-bromo-6-pyridin-4-ylquinolin-2-yl)-3-methylbutyl]carbamate
SMILESCC(CCNC(=O)OC(C)(C)C)Cc1cc(Br)c2cc(-c3ccncc3)ccc2n1
InChIInChI=1S/C24H28BrN3O2/c1-16(7-12-27-23(29)30-24(2,3)4)13-19-15-21(25)20-14-18(5-6-22(20)28-19)17-8-10-26-11-9-17/h5-6,8-11,14-16H,7,12-13H2,1-4H3,(H,27,29)
InChIKeyZYSJIAARVSNOKA-UHFFFAOYSA-N
XLogP6.15
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.41
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-N-methyl-3-(3-quinolin-6-yl-4-pyridinyl)prop-2-enamide
CID 164612959
Quinoline 2
CID 91801114
N-[[1-(6-bromoquinolin-4-yl)piperidin-4-yl]methyl]acetamide
CID 51130776
Ethyl 4-(2-(4-quinolinyl)vinyl)phenylcarbamate
CID 5906860
tert-butyl 4-(5-bromo-1H-indol-3-yl)piperidine-1-carboxylate
CID 58512411
Tert-butyl 1-(6-fluoro-3-(pyridin-2-yl) quinolin-2-yl)ethylcarbamate
CID 59634676
Tert-butyl 1-(4-(dimethylamino)-6-fluoro-3-(pyridin-2-yl)quinolin-2-yl)ethylcarbamate
CID 59634690
tert-butyl N-[2-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate
CID 67510399
Tert-butyl 1-(6-fluoro-3,4-di(pyridin-2-yl)quinolin-2-yl)ethylcarbamate
CID 67595333
Tert-butyl 1-(6-fluoro-4-(3-methylpyridin-2-yl)-3-(pyridin-2-yl)quinolin-2-yl)ethylcarbamate
CID 67599683
tert-butyl N-[2-[4-(6,8-difluoroquinolin-4-yl)phenyl]ethyl]carbamate
CID 68440660
tert-butyl N-[1-[4-(6,8-difluoroquinolin-4-yl)phenyl]ethyl]carbamate
CID 69562675

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(4-bromo-6-pyridin-4-ylquinolin-2-yl)-3-methylbutyl]carbamate?
The IUPAC name of tert-butyl N-[4-(4-bromo-6-pyridin-4-ylquinolin-2-yl)-3-methylbutyl]carbamate (CID 118279764) is tert-butyl N-[4-(4-bromo-6-pyridin-4-ylquinolin-2-yl)-3-methylbutyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(4-bromo-6-pyridin-4-ylquinolin-2-yl)-3-methylbutyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(4-bromo-6-pyridin-4-ylquinolin-2-yl)-3-methylbutyl]carbamate is CC(CCNC(=O)OC(C)(C)C)Cc1cc(Br)c2cc(-c3ccncc3)ccc2n1.
What is the InChIKey of tert-butyl N-[4-(4-bromo-6-pyridin-4-ylquinolin-2-yl)-3-methylbutyl]carbamate?
The InChIKey is ZYSJIAARVSNOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28BrN3O2/c1-16(7-12-27-23(29)30-24(2,3)4)13-19-15-21(25)20-14-18(5-6-22(20)28-19)17-8-10-26-11-9-17/h5-6,8-11,14-16H,7,12-13H2,1-4H3,(H,27,29).
What are the key properties of tert-butyl N-[4-(4-bromo-6-pyridin-4-ylquinolin-2-yl)-3-methylbutyl]carbamate?
tert-butyl N-[4-(4-bromo-6-pyridin-4-ylquinolin-2-yl)-3-methylbutyl]carbamate has a molecular weight of 470.41 g/mol, XLogP of 6.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(4-bromo-6-pyridin-4-ylquinolin-2-yl)-3-methylbutyl]carbamate is sourced from PubChem (CID 118279764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).