pentan-3-yl N-(7-tert-butylquinolin-2-yl)carbamate

C19H26N2O2 — CID 155623307

IUPACpentan-3-yl N-(7-tert-butylquinolin-2-yl)carbamate
SMILESCCC(CC)OC(=O)Nc1ccc2ccc(C(C)(C)C)cc2n1
InChIInChI=1S/C19H26N2O2/c1-6-15(7-2)23-18(22)21-17-11-9-13-8-10-14(19(3,4)5)12-16(13)20-17/h8-12,15H,6-7H2,1-5H3,(H,20,21,22)
InChIKeyOLLDKFNYWXVNLO-UHFFFAOYSA-N
MW314.43 g/mol
LogP5.27
Rot. Bonds4

About pentan-3-yl N-(7-tert-butylquinolin-2-yl)carbamate

pentan-3-yl N-(7-tert-butylquinolin-2-yl)carbamate (PubChem CID 155623307) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is pentan-3-yl N-(7-tert-butylquinolin-2-yl)carbamate.

Molecular Properties

Compound Namepentan-3-yl N-(7-tert-butylquinolin-2-yl)carbamate
PubChem CID155623307
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Namepentan-3-yl N-(7-tert-butylquinolin-2-yl)carbamate
SMILESCCC(CC)OC(=O)Nc1ccc2ccc(C(C)(C)C)cc2n1
InChIInChI=1S/C19H26N2O2/c1-6-15(7-2)23-18(22)21-17-11-9-13-8-10-14(19(3,4)5)12-16(13)20-17/h8-12,15H,6-7H2,1-5H3,(H,20,21,22)
InChIKeyOLLDKFNYWXVNLO-UHFFFAOYSA-N
XLogP5.27
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pentan-3-yl N-(7-tert-butylquinolin-2-yl)carbamate?
The IUPAC name of pentan-3-yl N-(7-tert-butylquinolin-2-yl)carbamate (CID 155623307) is pentan-3-yl N-(7-tert-butylquinolin-2-yl)carbamate.
What is the SMILES notation for pentan-3-yl N-(7-tert-butylquinolin-2-yl)carbamate?
The canonical SMILES for pentan-3-yl N-(7-tert-butylquinolin-2-yl)carbamate is CCC(CC)OC(=O)Nc1ccc2ccc(C(C)(C)C)cc2n1.
What is the InChIKey of pentan-3-yl N-(7-tert-butylquinolin-2-yl)carbamate?
The InChIKey is OLLDKFNYWXVNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-6-15(7-2)23-18(22)21-17-11-9-13-8-10-14(19(3,4)5)12-16(13)20-17/h8-12,15H,6-7H2,1-5H3,(H,20,21,22).
What are the key properties of pentan-3-yl N-(7-tert-butylquinolin-2-yl)carbamate?
pentan-3-yl N-(7-tert-butylquinolin-2-yl)carbamate has a molecular weight of 314.43 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-3-yl N-(7-tert-butylquinolin-2-yl)carbamate is sourced from PubChem (CID 155623307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).