[6-(1-propan-2-ylpyrrolidin-3-yl)oxyquinolin-2-yl] N-tert-butylcarbamate

C21H29N3O3 — CID 67318762

IUPAC[6-(1-propan-2-ylpyrrolidin-3-yl)oxyquinolin-2-yl] N-tert-butylcarbamate
SMILESCC(C)N1CCC(Oc2ccc3nc(OC(=O)NC(C)(C)C)ccc3c2)C1
InChIInChI=1S/C21H29N3O3/c1-14(2)24-11-10-17(13-24)26-16-7-8-18-15(12-16)6-9-19(22-18)27-20(25)23-21(3,4)5/h6-9,12,14,17H,10-11,13H2,1-5H3,(H,23,25)
InChIKeyYZWKXXGRFNMHCO-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.98
Rot. Bonds4

About [6-(1-propan-2-ylpyrrolidin-3-yl)oxyquinolin-2-yl] N-tert-butylcarbamate

[6-(1-propan-2-ylpyrrolidin-3-yl)oxyquinolin-2-yl] N-tert-butylcarbamate (PubChem CID 67318762) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is [6-(1-propan-2-ylpyrrolidin-3-yl)oxyquinolin-2-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[6-(1-propan-2-ylpyrrolidin-3-yl)oxyquinolin-2-yl] N-tert-butylcarbamate
PubChem CID67318762
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name[6-(1-propan-2-ylpyrrolidin-3-yl)oxyquinolin-2-yl] N-tert-butylcarbamate
SMILESCC(C)N1CCC(Oc2ccc3nc(OC(=O)NC(C)(C)C)ccc3c2)C1
InChIInChI=1S/C21H29N3O3/c1-14(2)24-11-10-17(13-24)26-16-7-8-18-15(12-16)6-9-19(22-18)27-20(25)23-21(3,4)5/h6-9,12,14,17H,10-11,13H2,1-5H3,(H,23,25)
InChIKeyYZWKXXGRFNMHCO-UHFFFAOYSA-N
XLogP3.98
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(1-propan-2-ylpyrrolidin-3-yl)oxyquinolin-2-yl] N-tert-butylcarbamate?
The IUPAC name of [6-(1-propan-2-ylpyrrolidin-3-yl)oxyquinolin-2-yl] N-tert-butylcarbamate (CID 67318762) is [6-(1-propan-2-ylpyrrolidin-3-yl)oxyquinolin-2-yl] N-tert-butylcarbamate.
What is the SMILES notation for [6-(1-propan-2-ylpyrrolidin-3-yl)oxyquinolin-2-yl] N-tert-butylcarbamate?
The canonical SMILES for [6-(1-propan-2-ylpyrrolidin-3-yl)oxyquinolin-2-yl] N-tert-butylcarbamate is CC(C)N1CCC(Oc2ccc3nc(OC(=O)NC(C)(C)C)ccc3c2)C1.
What is the InChIKey of [6-(1-propan-2-ylpyrrolidin-3-yl)oxyquinolin-2-yl] N-tert-butylcarbamate?
The InChIKey is YZWKXXGRFNMHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-14(2)24-11-10-17(13-24)26-16-7-8-18-15(12-16)6-9-19(22-18)27-20(25)23-21(3,4)5/h6-9,12,14,17H,10-11,13H2,1-5H3,(H,23,25).
What are the key properties of [6-(1-propan-2-ylpyrrolidin-3-yl)oxyquinolin-2-yl] N-tert-butylcarbamate?
[6-(1-propan-2-ylpyrrolidin-3-yl)oxyquinolin-2-yl] N-tert-butylcarbamate has a molecular weight of 371.48 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-propan-2-ylpyrrolidin-3-yl)oxyquinolin-2-yl] N-tert-butylcarbamate is sourced from PubChem (CID 67318762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).