tert-butyl N-(8-aminoquinoline-4-carbonyl)carbamate

C15H17N3O3 — CID 166932018

IUPACtert-butyl N-(8-aminoquinoline-4-carbonyl)carbamate
SMILESCC(C)(C)OC(=O)NC(=O)c1ccnc2c(N)cccc12
InChIInChI=1S/C15H17N3O3/c1-15(2,3)21-14(20)18-13(19)10-7-8-17-12-9(10)5-4-6-11(12)16/h4-8H,16H2,1-3H3,(H,18,19,20)
InChIKeyMUWKRZFUTWRDGJ-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.48
Rot. Bonds1

About tert-butyl N-(8-aminoquinoline-4-carbonyl)carbamate

tert-butyl N-(8-aminoquinoline-4-carbonyl)carbamate (PubChem CID 166932018) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is tert-butyl N-(8-aminoquinoline-4-carbonyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(8-aminoquinoline-4-carbonyl)carbamate
PubChem CID166932018
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Nametert-butyl N-(8-aminoquinoline-4-carbonyl)carbamate
SMILESCC(C)(C)OC(=O)NC(=O)c1ccnc2c(N)cccc12
InChIInChI=1S/C15H17N3O3/c1-15(2,3)21-14(20)18-13(19)10-7-8-17-12-9(10)5-4-6-11(12)16/h4-8H,16H2,1-3H3,(H,18,19,20)
InChIKeyMUWKRZFUTWRDGJ-UHFFFAOYSA-N
XLogP2.48
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(8-aminoquinoline-4-carbonyl)carbamate?
The IUPAC name of tert-butyl N-(8-aminoquinoline-4-carbonyl)carbamate (CID 166932018) is tert-butyl N-(8-aminoquinoline-4-carbonyl)carbamate.
What is the SMILES notation for tert-butyl N-(8-aminoquinoline-4-carbonyl)carbamate?
The canonical SMILES for tert-butyl N-(8-aminoquinoline-4-carbonyl)carbamate is CC(C)(C)OC(=O)NC(=O)c1ccnc2c(N)cccc12.
What is the InChIKey of tert-butyl N-(8-aminoquinoline-4-carbonyl)carbamate?
The InChIKey is MUWKRZFUTWRDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-15(2,3)21-14(20)18-13(19)10-7-8-17-12-9(10)5-4-6-11(12)16/h4-8H,16H2,1-3H3,(H,18,19,20).
What are the key properties of tert-butyl N-(8-aminoquinoline-4-carbonyl)carbamate?
tert-butyl N-(8-aminoquinoline-4-carbonyl)carbamate has a molecular weight of 287.32 g/mol, XLogP of 2.48, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(8-aminoquinoline-4-carbonyl)carbamate is sourced from PubChem (CID 166932018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).