tert-butyl N-[1-(oxolane-2-carbonyl)-3,4-dihydro-2H-quinolin-5-yl]carbamate

C19H26N2O4 — CID 122134015

IUPACtert-butyl N-[1-(oxolane-2-carbonyl)-3,4-dihydro-2H-quinolin-5-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc2c1CCCN2C(=O)C1CCCO1
InChIInChI=1S/C19H26N2O4/c1-19(2,3)25-18(23)20-14-8-4-9-15-13(14)7-5-11-21(15)17(22)16-10-6-12-24-16/h4,8-9,16H,5-7,10-12H2,1-3H3,(H,20,23)
InChIKeyVTKOXRZSHWDPCI-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.49
Rot. Bonds2

About tert-butyl N-[1-(oxolane-2-carbonyl)-3,4-dihydro-2H-quinolin-5-yl]carbamate

tert-butyl N-[1-(oxolane-2-carbonyl)-3,4-dihydro-2H-quinolin-5-yl]carbamate (PubChem CID 122134015) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is tert-butyl N-[1-(oxolane-2-carbonyl)-3,4-dihydro-2H-quinolin-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(oxolane-2-carbonyl)-3,4-dihydro-2H-quinolin-5-yl]carbamate
PubChem CID122134015
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Nametert-butyl N-[1-(oxolane-2-carbonyl)-3,4-dihydro-2H-quinolin-5-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc2c1CCCN2C(=O)C1CCCO1
InChIInChI=1S/C19H26N2O4/c1-19(2,3)25-18(23)20-14-8-4-9-15-13(14)7-5-11-21(15)17(22)16-10-6-12-24-16/h4,8-9,16H,5-7,10-12H2,1-3H3,(H,20,23)
InChIKeyVTKOXRZSHWDPCI-UHFFFAOYSA-N
XLogP3.49
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(oxolane-2-carbonyl)-3,4-dihydro-2H-quinolin-5-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(oxolane-2-carbonyl)-3,4-dihydro-2H-quinolin-5-yl]carbamate (CID 122134015) is tert-butyl N-[1-(oxolane-2-carbonyl)-3,4-dihydro-2H-quinolin-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(oxolane-2-carbonyl)-3,4-dihydro-2H-quinolin-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(oxolane-2-carbonyl)-3,4-dihydro-2H-quinolin-5-yl]carbamate is CC(C)(C)OC(=O)Nc1cccc2c1CCCN2C(=O)C1CCCO1.
What is the InChIKey of tert-butyl N-[1-(oxolane-2-carbonyl)-3,4-dihydro-2H-quinolin-5-yl]carbamate?
The InChIKey is VTKOXRZSHWDPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-19(2,3)25-18(23)20-14-8-4-9-15-13(14)7-5-11-21(15)17(22)16-10-6-12-24-16/h4,8-9,16H,5-7,10-12H2,1-3H3,(H,20,23).
What are the key properties of tert-butyl N-[1-(oxolane-2-carbonyl)-3,4-dihydro-2H-quinolin-5-yl]carbamate?
tert-butyl N-[1-(oxolane-2-carbonyl)-3,4-dihydro-2H-quinolin-5-yl]carbamate has a molecular weight of 346.43 g/mol, XLogP of 3.49, 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-(oxolane-2-carbonyl)-3,4-dihydro-2H-quinolin-5-yl]carbamate is sourced from PubChem (CID 122134015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).