tert-butyl 4-[4-(4-morpholin-4-ylquinolin-2-yl)cyclohexa-1,2,3,5-tetraen-1-yl]piperazine-1-carboxylate

C28H32N4O3 — CID 177173636

IUPACtert-butyl 4-[4-(4-morpholin-4-ylquinolin-2-yl)cyclohexa-1,2,3,5-tetraen-1-yl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C2=C=C=C(c3cc(N4CCOCC4)c4ccccc4n3)C=C2)CC1
InChIInChI=1S/C28H32N4O3/c1-28(2,3)35-27(33)32-14-12-30(13-15-32)22-10-8-21(9-11-22)25-20-26(31-16-18-34-19-17-31)23-6-4-5-7-24(23)29-25/h4-8,10,20H,12-19H2,1-3H3
InChIKeyCNXCWFSGVLUYCR-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.22
Rot. Bonds3

About tert-butyl 4-[4-(4-morpholin-4-ylquinolin-2-yl)cyclohexa-1,2,3,5-tetraen-1-yl]piperazine-1-carboxylate

tert-butyl 4-[4-(4-morpholin-4-ylquinolin-2-yl)cyclohexa-1,2,3,5-tetraen-1-yl]piperazine-1-carboxylate (PubChem CID 177173636) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is tert-butyl 4-[4-(4-morpholin-4-ylquinolin-2-yl)cyclohexa-1,2,3,5-tetraen-1-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-(4-morpholin-4-ylquinolin-2-yl)cyclohexa-1,2,3,5-tetraen-1-yl]piperazine-1-carboxylate
PubChem CID177173636
Molecular FormulaC28H32N4O3
Molecular Weight472.59 g/mol
Exact Mass472.25
IUPAC Nametert-butyl 4-[4-(4-morpholin-4-ylquinolin-2-yl)cyclohexa-1,2,3,5-tetraen-1-yl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C2=C=C=C(c3cc(N4CCOCC4)c4ccccc4n3)C=C2)CC1
InChIInChI=1S/C28H32N4O3/c1-28(2,3)35-27(33)32-14-12-30(13-15-32)22-10-8-21(9-11-22)25-20-26(31-16-18-34-19-17-31)23-6-4-5-7-24(23)29-25/h4-8,10,20H,12-19H2,1-3H3
InChIKeyCNXCWFSGVLUYCR-UHFFFAOYSA-N
XLogP4.22
TPSA58.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[4-(4-morpholin-4-ylquinolin-2-yl)cyclohexa-1,2,3,5-tetraen-1-yl]piperazine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-(2-methyl-3-morpholin-4-ylphenyl)piperazine-1-carboxylate
CID 24824159
tert-butyl 6-[2-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-pyridinyl]quinolin-4-yl]-3,6-diazabicyclo[3.2.0]heptane-3-carboxylate
CID 177173370
tert-butyl (3S)-3-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazine-1-carbonyl]pyrrolidine-1-carboxylate
CID 166110445
tert-butyl 4-[4-(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 168922554
tert-butyl 4-(2,5-dihydroxyphenyl)piperazine-1-carboxylate
CID 121260807
tert-butyl 4-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 66693151
tert-butyl 4-[5-fluoro-6-morpholin-4-yl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 58320493
tert-butyl 4-[4-(2-chloro-6-morpholin-4-yl-4-pyridinyl)phenyl]piperazine-1-carboxylate
CID 86672044
tert-butyl 4-[3-(benzenesulfonyl)-4-nitronaphthalen-1-yl]piperazine-1-carboxylate
CID 140652369
tert-butyl 4-[4-morpholin-4-yl-2-(trifluoromethylsulfonyloxy)phenyl]piperazine-1-carboxylate
CID 86601817
tert-butyl 4-quinazolin-4-yl-1,4-diazepane-1-carboxylate
CID 69365805
tert-butyl 4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazine-1-carboxylate
CID 171478111

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(4-morpholin-4-ylquinolin-2-yl)cyclohexa-1,2,3,5-tetraen-1-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-(4-morpholin-4-ylquinolin-2-yl)cyclohexa-1,2,3,5-tetraen-1-yl]piperazine-1-carboxylate (CID 177173636) is tert-butyl 4-[4-(4-morpholin-4-ylquinolin-2-yl)cyclohexa-1,2,3,5-tetraen-1-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-(4-morpholin-4-ylquinolin-2-yl)cyclohexa-1,2,3,5-tetraen-1-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-(4-morpholin-4-ylquinolin-2-yl)cyclohexa-1,2,3,5-tetraen-1-yl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C2=C=C=C(c3cc(N4CCOCC4)c4ccccc4n3)C=C2)CC1.
What is the InChIKey of tert-butyl 4-[4-(4-morpholin-4-ylquinolin-2-yl)cyclohexa-1,2,3,5-tetraen-1-yl]piperazine-1-carboxylate?
The InChIKey is CNXCWFSGVLUYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3/c1-28(2,3)35-27(33)32-14-12-30(13-15-32)22-10-8-21(9-11-22)25-20-26(31-16-18-34-19-17-31)23-6-4-5-7-24(23)29-25/h4-8,10,20H,12-19H2,1-3H3.
What are the key properties of tert-butyl 4-[4-(4-morpholin-4-ylquinolin-2-yl)cyclohexa-1,2,3,5-tetraen-1-yl]piperazine-1-carboxylate?
tert-butyl 4-[4-(4-morpholin-4-ylquinolin-2-yl)cyclohexa-1,2,3,5-tetraen-1-yl]piperazine-1-carboxylate has a molecular weight of 472.59 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(4-morpholin-4-ylquinolin-2-yl)cyclohexa-1,2,3,5-tetraen-1-yl]piperazine-1-carboxylate is sourced from PubChem (CID 177173636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).