tert-butyl 7-[1-[4-[2-[4-(methanesulfonamido)phenyl]ethylamino]quinazolin-2-yl]azetidin-3-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylate

C32H43N7O4S — CID 162353514

IUPACtert-butyl 7-[1-[4-[2-[4-(methanesulfonamido)phenyl]ethylamino]quinazolin-2-yl]azetidin-3-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CCN(C3CN(c4nc(NCCc5ccc(NS(C)(=O)=O)cc5)c5ccccc5n4)C3)CC2)C1
InChIInChI=1S/C32H43N7O4S/c1-31(2,3)43-30(40)39-21-32(22-39)14-17-37(18-15-32)25-19-38(20-25)29-34-27-8-6-5-7-26(27)28(35-29)33-16-13-23-9-11-24(12-10-23)36-44(4,41)42/h5-12,25,36H,13-22H2,1-4H3,(H,33,34,35)
InChIKeyNDXNKENYEJJEND-UHFFFAOYSA-N
MW621.81 g/mol
LogP4.18
Rot. Bonds8

About tert-butyl 7-[1-[4-[2-[4-(methanesulfonamido)phenyl]ethylamino]quinazolin-2-yl]azetidin-3-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylate

tert-butyl 7-[1-[4-[2-[4-(methanesulfonamido)phenyl]ethylamino]quinazolin-2-yl]azetidin-3-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylate (PubChem CID 162353514) has the molecular formula C32H43N7O4S and a molecular weight of 621.81 g/mol. Its IUPAC name is tert-butyl 7-[1-[4-[2-[4-(methanesulfonamido)phenyl]ethylamino]quinazolin-2-yl]azetidin-3-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-[1-[4-[2-[4-(methanesulfonamido)phenyl]ethylamino]quinazolin-2-yl]azetidin-3-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylate
PubChem CID162353514
Molecular FormulaC32H43N7O4S
Molecular Weight621.81 g/mol
Exact Mass621.31
IUPAC Nametert-butyl 7-[1-[4-[2-[4-(methanesulfonamido)phenyl]ethylamino]quinazolin-2-yl]azetidin-3-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CCN(C3CN(c4nc(NCCc5ccc(NS(C)(=O)=O)cc5)c5ccccc5n4)C3)CC2)C1
InChIInChI=1S/C32H43N7O4S/c1-31(2,3)43-30(40)39-21-32(22-39)14-17-37(18-15-32)25-19-38(20-25)29-34-27-8-6-5-7-26(27)28(35-29)33-16-13-23-9-11-24(12-10-23)36-44(4,41)42/h5-12,25,36H,13-22H2,1-4H3,(H,33,34,35)
InChIKeyNDXNKENYEJJEND-UHFFFAOYSA-N
XLogP4.18
TPSA120.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500621.81
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze tert-butyl 7-[1-[4-[2-[4-(methanesulfonamido)phenyl]ethylamino]quinazolin-2-yl]azetidin-3-yl]-2,7-diazaspiro[3.5]nonane-2-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-[4-[2-[4-(methanesulfonamido)phenyl]ethylamino]quinazolin-2-yl]piperazine-1-carboxylate
CID 162353529
N-[4-[2-[[2-[3-[4-(azetidin-3-yl)piperazin-1-yl]azetidin-1-yl]quinazolin-4-yl]amino]ethyl]phenyl]methanesulfonamide
CID 162353536
N-[4-[2-[[2-[4-(azetidin-3-yl)piperazin-1-yl]quinazolin-4-yl]amino]ethyl]phenyl]methanesulfonamide
CID 162353528
N-[4-[2-[[2-[4-[1-[2-(1,3,2-dioxazinan-4-yl)-1,3,2-benzodioxazol-5-yl]azetidin-3-yl]piperazin-1-yl]quinazolin-4-yl]amino]ethyl]phenyl]methanesulfonamide
CID 175169047
2-[3-[4-(azetidin-3-yl)piperazin-1-yl]azetidin-1-yl]-N-[2-(4-nitrophenyl)ethyl]quinazolin-4-amine
CID 162353544
tert-butyl 3-[[4-(methanesulfonamido)phenyl]methyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate
CID 58046704
[4-[2-[[2-[4-[1-[2-(1,3,2-dioxazinan-4-yl)-1,3,2-benzodioxazol-5-yl]azetidin-3-yl]piperazin-1-yl]quinazolin-4-yl]amino]ethyl]-N-methylsulfonylanilino] 2,2,2-trifluoroacetate
CID 175169045
tert-butyl 9-(1-phenylmethoxycarbonylpiperidin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 166095550
tert-butyl 4-[4-(2-phenylethylamino)-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate
CID 167174425
tert-butyl 7-[(4-methylsulfonylphenyl)methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 162745913
tert-butyl 7-(4-chloro-2-methylsulfonylphenyl)-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 169105284
tert-butyl 2-[6-(2-phenylethyl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 168924966

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-[1-[4-[2-[4-(methanesulfonamido)phenyl]ethylamino]quinazolin-2-yl]azetidin-3-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylate?
The IUPAC name of tert-butyl 7-[1-[4-[2-[4-(methanesulfonamido)phenyl]ethylamino]quinazolin-2-yl]azetidin-3-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylate (CID 162353514) is tert-butyl 7-[1-[4-[2-[4-(methanesulfonamido)phenyl]ethylamino]quinazolin-2-yl]azetidin-3-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylate.
What is the SMILES notation for tert-butyl 7-[1-[4-[2-[4-(methanesulfonamido)phenyl]ethylamino]quinazolin-2-yl]azetidin-3-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylate?
The canonical SMILES for tert-butyl 7-[1-[4-[2-[4-(methanesulfonamido)phenyl]ethylamino]quinazolin-2-yl]azetidin-3-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylate is CC(C)(C)OC(=O)N1CC2(CCN(C3CN(c4nc(NCCc5ccc(NS(C)(=O)=O)cc5)c5ccccc5n4)C3)CC2)C1.
What is the InChIKey of tert-butyl 7-[1-[4-[2-[4-(methanesulfonamido)phenyl]ethylamino]quinazolin-2-yl]azetidin-3-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylate?
The InChIKey is NDXNKENYEJJEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N7O4S/c1-31(2,3)43-30(40)39-21-32(22-39)14-17-37(18-15-32)25-19-38(20-25)29-34-27-8-6-5-7-26(27)28(35-29)33-16-13-23-9-11-24(12-10-23)36-44(4,41)42/h5-12,25,36H,13-22H2,1-4H3,(H,33,34,35).
What are the key properties of tert-butyl 7-[1-[4-[2-[4-(methanesulfonamido)phenyl]ethylamino]quinazolin-2-yl]azetidin-3-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylate?
tert-butyl 7-[1-[4-[2-[4-(methanesulfonamido)phenyl]ethylamino]quinazolin-2-yl]azetidin-3-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylate has a molecular weight of 621.81 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-[1-[4-[2-[4-(methanesulfonamido)phenyl]ethylamino]quinazolin-2-yl]azetidin-3-yl]-2,7-diazaspiro[3.5]nonane-2-carboxylate is sourced from PubChem (CID 162353514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).