tert-butyl 4-[2-methyl-4-[2-(2-morpholin-4-ylethyl)-4H-imidazo[2,1-c][1,4]benzoxazin-7-yl]phenyl]piperazine-1-carboxylate

C32H41N5O4 — CID 126680537

IUPACtert-butyl 4-[2-methyl-4-[2-(2-morpholin-4-ylethyl)-4H-imidazo[2,1-c][1,4]benzoxazin-7-yl]phenyl]piperazine-1-carboxylate
SMILESCc1cc(-c2ccc3c(c2)OCc2nc(CCN4CCOCC4)cn2-3)ccc1N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C32H41N5O4/c1-23-19-24(5-7-27(23)35-11-13-36(14-12-35)31(38)41-32(2,3)4)25-6-8-28-29(20-25)40-22-30-33-26(21-37(28)30)9-10-34-15-17-39-18-16-34/h5-8,19-21H,9-18,22H2,1-4H3
InChIKeyIOGZKSAXWCROOB-UHFFFAOYSA-N
MW559.71 g/mol
LogP4.67
Rot. Bonds5

About tert-butyl 4-[2-methyl-4-[2-(2-morpholin-4-ylethyl)-4H-imidazo[2,1-c][1,4]benzoxazin-7-yl]phenyl]piperazine-1-carboxylate

tert-butyl 4-[2-methyl-4-[2-(2-morpholin-4-ylethyl)-4H-imidazo[2,1-c][1,4]benzoxazin-7-yl]phenyl]piperazine-1-carboxylate (PubChem CID 126680537) has the molecular formula C32H41N5O4 and a molecular weight of 559.71 g/mol. Its IUPAC name is tert-butyl 4-[2-methyl-4-[2-(2-morpholin-4-ylethyl)-4H-imidazo[2,1-c][1,4]benzoxazin-7-yl]phenyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-methyl-4-[2-(2-morpholin-4-ylethyl)-4H-imidazo[2,1-c][1,4]benzoxazin-7-yl]phenyl]piperazine-1-carboxylate
PubChem CID126680537
Molecular FormulaC32H41N5O4
Molecular Weight559.71 g/mol
Exact Mass559.32
IUPAC Nametert-butyl 4-[2-methyl-4-[2-(2-morpholin-4-ylethyl)-4H-imidazo[2,1-c][1,4]benzoxazin-7-yl]phenyl]piperazine-1-carboxylate
SMILESCc1cc(-c2ccc3c(c2)OCc2nc(CCN4CCOCC4)cn2-3)ccc1N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C32H41N5O4/c1-23-19-24(5-7-27(23)35-11-13-36(14-12-35)31(38)41-32(2,3)4)25-6-8-28-29(20-25)40-22-30-33-26(21-37(28)30)9-10-34-15-17-39-18-16-34/h5-8,19-21H,9-18,22H2,1-4H3
InChIKeyIOGZKSAXWCROOB-UHFFFAOYSA-N
XLogP4.67
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.71
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[2-methyl-4-[2-(2-morpholin-4-ylethyl)-4H-imidazo[2,1-c][1,4]benzoxazin-7-yl]phenyl]piperazine-1-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 4-[2-methyl-4-[2-(morpholin-4-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazin-7-yl]phenyl]piperazine-1-carboxylate
CID 126680327
7-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(2-morpholin-4-ylethyl)-4H-imidazo[2,1-c][1,4]benzoxazine
CID 126678759
tert-butyl 4-[5-[2-(piperidin-1-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazin-7-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 126678717
ethane;2-(2-piperidin-1-ylethyl)-7-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-4H-imidazo[2,1-c][1,4]benzoxazine
CID 145268964
tert-butyl 4-[4-(5-formylfuran-2-yl)-2-methylphenyl]piperazine-1-carboxylate
CID 169334378
2-[2-(morpholin-4-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazin-7-yl]-5-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 126679857
7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2-(morpholin-4-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine
CID 126651046
tert-butyl 4-(2-methyl-3-morpholin-4-ylphenyl)piperazine-1-carboxylate
CID 24824159
tert-butyl 4-(4-methoxycarbonyl-2-methylphenyl)piperazine-1-carboxylate
CID 67048475
4-(4-chloro-2-methylphenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113106058
tert-butyl 4-[4-(2-chloro-6-morpholin-4-yl-4-pyridinyl)phenyl]piperazine-1-carboxylate
CID 86672044
tert-butyl 4-[4-(5-hydroxy-6-methyl-2-pyridinyl)butyl]piperazine-1-carboxylate
CID 174179086

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-methyl-4-[2-(2-morpholin-4-ylethyl)-4H-imidazo[2,1-c][1,4]benzoxazin-7-yl]phenyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-methyl-4-[2-(2-morpholin-4-ylethyl)-4H-imidazo[2,1-c][1,4]benzoxazin-7-yl]phenyl]piperazine-1-carboxylate (CID 126680537) is tert-butyl 4-[2-methyl-4-[2-(2-morpholin-4-ylethyl)-4H-imidazo[2,1-c][1,4]benzoxazin-7-yl]phenyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-methyl-4-[2-(2-morpholin-4-ylethyl)-4H-imidazo[2,1-c][1,4]benzoxazin-7-yl]phenyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-methyl-4-[2-(2-morpholin-4-ylethyl)-4H-imidazo[2,1-c][1,4]benzoxazin-7-yl]phenyl]piperazine-1-carboxylate is Cc1cc(-c2ccc3c(c2)OCc2nc(CCN4CCOCC4)cn2-3)ccc1N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[2-methyl-4-[2-(2-morpholin-4-ylethyl)-4H-imidazo[2,1-c][1,4]benzoxazin-7-yl]phenyl]piperazine-1-carboxylate?
The InChIKey is IOGZKSAXWCROOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N5O4/c1-23-19-24(5-7-27(23)35-11-13-36(14-12-35)31(38)41-32(2,3)4)25-6-8-28-29(20-25)40-22-30-33-26(21-37(28)30)9-10-34-15-17-39-18-16-34/h5-8,19-21H,9-18,22H2,1-4H3.
What are the key properties of tert-butyl 4-[2-methyl-4-[2-(2-morpholin-4-ylethyl)-4H-imidazo[2,1-c][1,4]benzoxazin-7-yl]phenyl]piperazine-1-carboxylate?
tert-butyl 4-[2-methyl-4-[2-(2-morpholin-4-ylethyl)-4H-imidazo[2,1-c][1,4]benzoxazin-7-yl]phenyl]piperazine-1-carboxylate has a molecular weight of 559.71 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-methyl-4-[2-(2-morpholin-4-ylethyl)-4H-imidazo[2,1-c][1,4]benzoxazin-7-yl]phenyl]piperazine-1-carboxylate is sourced from PubChem (CID 126680537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).