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

C23H27FN4O2 — CID 59634690

IUPACtert-butyl N-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)c1nc2ccc(F)cc2c(N(C)C)c1-c1ccccn1
InChIInChI=1S/C23H27FN4O2/c1-14(26-22(29)30-23(2,3)4)20-19(18-9-7-8-12-25-18)21(28(5)6)16-13-15(24)10-11-17(16)27-20/h7-14H,1-6H3,(H,26,29)
InChIKeyJIMIHXYVISDYMX-UHFFFAOYSA-N
MW410.49 g/mol
LogP5.09
Rot. Bonds4

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

tert-butyl N-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate (PubChem CID 59634690) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is tert-butyl N-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate
PubChem CID59634690
Molecular FormulaC23H27FN4O2
Molecular Weight410.49 g/mol
Exact Mass410.21
IUPAC Nametert-butyl N-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)c1nc2ccc(F)cc2c(N(C)C)c1-c1ccccn1
InChIInChI=1S/C23H27FN4O2/c1-14(26-22(29)30-23(2,3)4)20-19(18-9-7-8-12-25-18)21(28(5)6)16-13-15(24)10-11-17(16)27-20/h7-14H,1-6H3,(H,26,29)
InChIKeyJIMIHXYVISDYMX-UHFFFAOYSA-N
XLogP5.09
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.49
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate (CID 59634690) is tert-butyl N-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate is CC(NC(=O)OC(C)(C)C)c1nc2ccc(F)cc2c(N(C)C)c1-c1ccccn1.
What is the InChIKey of tert-butyl N-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate?
The InChIKey is JIMIHXYVISDYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O2/c1-14(26-22(29)30-23(2,3)4)20-19(18-9-7-8-12-25-18)21(28(5)6)16-13-15(24)10-11-17(16)27-20/h7-14H,1-6H3,(H,26,29).
What are the key properties of tert-butyl N-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate?
tert-butyl N-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate has a molecular weight of 410.49 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-(dimethylamino)-6-fluoro-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate is sourced from PubChem (CID 59634690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).