tert-butyl N-[1-(6-fluoro-4-morpholin-4-yl-3-pyridin-2-ylquinolin-2-yl)ethyl]carbamate

C25H29FN4O3 — CID 59634726

IUPACtert-butyl N-[1-(6-fluoro-4-morpholin-4-yl-3-pyridin-2-ylquinolin-2-yl)ethyl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)c1nc2ccc(F)cc2c(N2CCOCC2)c1-c1ccccn1
InChIInChI=1S/C25H29FN4O3/c1-16(28-24(31)33-25(2,3)4)22-21(20-7-5-6-10-27-20)23(30-11-13-32-14-12-30)18-15-17(26)8-9-19(18)29-22/h5-10,15-16H,11-14H2,1-4H3,(H,28,31)
InChIKeyACIYRSXRSSJJKU-UHFFFAOYSA-N
MW452.53 g/mol
LogP4.86
Rot. Bonds4

About tert-butyl N-[1-(6-fluoro-4-morpholin-4-yl-3-pyridin-2-ylquinolin-2-yl)ethyl]carbamate

tert-butyl N-[1-(6-fluoro-4-morpholin-4-yl-3-pyridin-2-ylquinolin-2-yl)ethyl]carbamate (PubChem CID 59634726) has the molecular formula C25H29FN4O3 and a molecular weight of 452.53 g/mol. Its IUPAC name is tert-butyl N-[1-(6-fluoro-4-morpholin-4-yl-3-pyridin-2-ylquinolin-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(6-fluoro-4-morpholin-4-yl-3-pyridin-2-ylquinolin-2-yl)ethyl]carbamate
PubChem CID59634726
Molecular FormulaC25H29FN4O3
Molecular Weight452.53 g/mol
Exact Mass452.22
IUPAC Nametert-butyl N-[1-(6-fluoro-4-morpholin-4-yl-3-pyridin-2-ylquinolin-2-yl)ethyl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)c1nc2ccc(F)cc2c(N2CCOCC2)c1-c1ccccn1
InChIInChI=1S/C25H29FN4O3/c1-16(28-24(31)33-25(2,3)4)22-21(20-7-5-6-10-27-20)23(30-11-13-32-14-12-30)18-15-17(26)8-9-19(18)29-22/h5-10,15-16H,11-14H2,1-4H3,(H,28,31)
InChIKeyACIYRSXRSSJJKU-UHFFFAOYSA-N
XLogP4.86
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(6-fluoro-4-morpholin-4-yl-3-pyridin-2-ylquinolin-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-(6-fluoro-4-morpholin-4-yl-3-pyridin-2-ylquinolin-2-yl)ethyl]carbamate (CID 59634726) is tert-butyl N-[1-(6-fluoro-4-morpholin-4-yl-3-pyridin-2-ylquinolin-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(6-fluoro-4-morpholin-4-yl-3-pyridin-2-ylquinolin-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(6-fluoro-4-morpholin-4-yl-3-pyridin-2-ylquinolin-2-yl)ethyl]carbamate is CC(NC(=O)OC(C)(C)C)c1nc2ccc(F)cc2c(N2CCOCC2)c1-c1ccccn1.
What is the InChIKey of tert-butyl N-[1-(6-fluoro-4-morpholin-4-yl-3-pyridin-2-ylquinolin-2-yl)ethyl]carbamate?
The InChIKey is ACIYRSXRSSJJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O3/c1-16(28-24(31)33-25(2,3)4)22-21(20-7-5-6-10-27-20)23(30-11-13-32-14-12-30)18-15-17(26)8-9-19(18)29-22/h5-10,15-16H,11-14H2,1-4H3,(H,28,31).
What are the key properties of tert-butyl N-[1-(6-fluoro-4-morpholin-4-yl-3-pyridin-2-ylquinolin-2-yl)ethyl]carbamate?
tert-butyl N-[1-(6-fluoro-4-morpholin-4-yl-3-pyridin-2-ylquinolin-2-yl)ethyl]carbamate has a molecular weight of 452.53 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(6-fluoro-4-morpholin-4-yl-3-pyridin-2-ylquinolin-2-yl)ethyl]carbamate is sourced from PubChem (CID 59634726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).