tert-butyl 3-(6-chloroisoquinolin-8-yl)morpholine-4-carboxylate

C18H21ClN2O3 — CID 164912666

IUPACtert-butyl 3-(6-chloroisoquinolin-8-yl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1c1cc(Cl)cc2ccncc12
InChIInChI=1S/C18H21ClN2O3/c1-18(2,3)24-17(22)21-6-7-23-11-16(21)14-9-13(19)8-12-4-5-20-10-15(12)14/h4-5,8-10,16H,6-7,11H2,1-3H3
InChIKeyRKTUWAYSXXHFRM-UHFFFAOYSA-N
MW348.83 g/mol
LogP4.20
Rot. Bonds1

About tert-butyl 3-(6-chloroisoquinolin-8-yl)morpholine-4-carboxylate

tert-butyl 3-(6-chloroisoquinolin-8-yl)morpholine-4-carboxylate (PubChem CID 164912666) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is tert-butyl 3-(6-chloroisoquinolin-8-yl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(6-chloroisoquinolin-8-yl)morpholine-4-carboxylate
PubChem CID164912666
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Nametert-butyl 3-(6-chloroisoquinolin-8-yl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1c1cc(Cl)cc2ccncc12
InChIInChI=1S/C18H21ClN2O3/c1-18(2,3)24-17(22)21-6-7-23-11-16(21)14-9-13(19)8-12-4-5-20-10-15(12)14/h4-5,8-10,16H,6-7,11H2,1-3H3
InChIKeyRKTUWAYSXXHFRM-UHFFFAOYSA-N
XLogP4.20
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-(6-chloroisoquinolin-8-yl)morpholine-4-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl (3S)-3-(4-amino-2-chlorophenyl)morpholine-4-carboxylate
CID 172748859
2-(6-chloroisoquinolin-8-yl)pyrrolidine-1-carboxylic acid
CID 174201541
tert-butyl 3-(5-aminopyrimidin-2-yl)morpholine-4-carboxylate
CID 172992700
tert-butyl (3R)-3-[6-chloro-2-[(3S)-3-fluoropyrrolidine-1-carbonyl]-3,4-dihydro-1H-isoquinolin-8-yl]morpholine-4-carboxylate
CID 168973100
tert-butyl 3-(4-amino-2-pyridinyl)morpholine-4-carboxylate
CID 166160542
tert-butyl (3R)-3-[1-[(3-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]morpholine-4-carboxylate
CID 100761156
4-[(3R)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]benzoic acid
CID 167734448
tert-butyl (3R)-3-(5-amino-2-methoxycarbonyl-4-pyridinyl)morpholine-4-carboxylate
CID 177204743
tert-butyl (3R)-3-[3-(4-amino-6-oxo-1H-1,3,5-triazin-2-yl)-5-chlorophenyl]morpholine-4-carboxylate
CID 171499389
tert-butyl 3-(5-amino-2-chlorophenyl)-1,4-oxazepane-4-carboxylate
CID 146193874
tert-butyl (3R)-3-(4-aminophenyl)morpholine-4-carboxylate
CID 67388382
tert-butyl (3R)-3-(5-acetamido-2-chlorophenyl)-1,4-oxazepane-4-carboxylate
CID 175704250

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(6-chloroisoquinolin-8-yl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-(6-chloroisoquinolin-8-yl)morpholine-4-carboxylate (CID 164912666) is tert-butyl 3-(6-chloroisoquinolin-8-yl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-(6-chloroisoquinolin-8-yl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-(6-chloroisoquinolin-8-yl)morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOCC1c1cc(Cl)cc2ccncc12.
What is the InChIKey of tert-butyl 3-(6-chloroisoquinolin-8-yl)morpholine-4-carboxylate?
The InChIKey is RKTUWAYSXXHFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-18(2,3)24-17(22)21-6-7-23-11-16(21)14-9-13(19)8-12-4-5-20-10-15(12)14/h4-5,8-10,16H,6-7,11H2,1-3H3.
What are the key properties of tert-butyl 3-(6-chloroisoquinolin-8-yl)morpholine-4-carboxylate?
tert-butyl 3-(6-chloroisoquinolin-8-yl)morpholine-4-carboxylate has a molecular weight of 348.83 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(6-chloroisoquinolin-8-yl)morpholine-4-carboxylate is sourced from PubChem (CID 164912666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).