tert-butyl N-[1-(8-bromoquinolin-4-yl)pyrrolidin-3-yl]carbamate

C18H22BrN3O2 — CID 133293124

IUPACtert-butyl N-[1-(8-bromoquinolin-4-yl)pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2ccnc3c(Br)cccc23)C1
InChIInChI=1S/C18H22BrN3O2/c1-18(2,3)24-17(23)21-12-8-10-22(11-12)15-7-9-20-16-13(15)5-4-6-14(16)19/h4-7,9,12H,8,10-11H2,1-3H3,(H,21,23)
InChIKeyRFVZWMMQPRJVDK-UHFFFAOYSA-N
MW392.30 g/mol
LogP4.10
Rot. Bonds2

About tert-butyl N-[1-(8-bromoquinolin-4-yl)pyrrolidin-3-yl]carbamate

tert-butyl N-[1-(8-bromoquinolin-4-yl)pyrrolidin-3-yl]carbamate (PubChem CID 133293124) has the molecular formula C18H22BrN3O2 and a molecular weight of 392.30 g/mol. Its IUPAC name is tert-butyl N-[1-(8-bromoquinolin-4-yl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(8-bromoquinolin-4-yl)pyrrolidin-3-yl]carbamate
PubChem CID133293124
Molecular FormulaC18H22BrN3O2
Molecular Weight392.30 g/mol
Exact Mass391.09
IUPAC Nametert-butyl N-[1-(8-bromoquinolin-4-yl)pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2ccnc3c(Br)cccc23)C1
InChIInChI=1S/C18H22BrN3O2/c1-18(2,3)24-17(23)21-12-8-10-22(11-12)15-7-9-20-16-13(15)5-4-6-14(16)19/h4-7,9,12H,8,10-11H2,1-3H3,(H,21,23)
InChIKeyRFVZWMMQPRJVDK-UHFFFAOYSA-N
XLogP4.10
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.30
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate
CID 77473382
1-(8-bromoquinolin-4-yl)pyrrolidine-3-carboxamide
CID 133283487
tert-butyl N-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)carbamate
CID 122142851
2-[4-(8-bromoquinolin-4-yl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 133283467
tert-butyl N-[1-(2-chloro-4-pyridinyl)pyrrolidin-3-yl]carbamate
CID 121204853
tert-butyl N-[(3R)-1-(2-bromo-6-formylphenyl)piperidin-3-yl]carbamate
CID 58423167
tert-butyl N-[(3R)-1-(2-methyl-4-pyridinyl)pyrrolidin-3-yl]carbamate
CID 165092295
tert-butyl N-[1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 18667607
tert-butyl N-[(3S)-1-(6-pyrimidin-2-ylquinolin-4-yl)piperidin-3-yl]carbamate
CID 123553559
tert-butyl N-[(3S)-1-pyridin-3-ylpyrrolidin-3-yl]carbamate
CID 131747678
tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate
CID 59332173
tert-butyl N-[(3R)-1-(3-cyano-2-fluorophenyl)pyrrolidin-3-yl]carbamate
CID 168826976

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(8-bromoquinolin-4-yl)pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(8-bromoquinolin-4-yl)pyrrolidin-3-yl]carbamate (CID 133293124) is tert-butyl N-[1-(8-bromoquinolin-4-yl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(8-bromoquinolin-4-yl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(8-bromoquinolin-4-yl)pyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(c2ccnc3c(Br)cccc23)C1.
What is the InChIKey of tert-butyl N-[1-(8-bromoquinolin-4-yl)pyrrolidin-3-yl]carbamate?
The InChIKey is RFVZWMMQPRJVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O2/c1-18(2,3)24-17(23)21-12-8-10-22(11-12)15-7-9-20-16-13(15)5-4-6-14(16)19/h4-7,9,12H,8,10-11H2,1-3H3,(H,21,23).
What are the key properties of tert-butyl N-[1-(8-bromoquinolin-4-yl)pyrrolidin-3-yl]carbamate?
tert-butyl N-[1-(8-bromoquinolin-4-yl)pyrrolidin-3-yl]carbamate has a molecular weight of 392.30 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(8-bromoquinolin-4-yl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 133293124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).