[(Z)-3-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methylamino]-2-hydrazinylprop-2-enyl] N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]carbamate

C33H34N10O8 — CID 176669639

IUPAC[(Z)-3-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methylamino]-2-hydrazinylprop-2-enyl] N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]carbamate
SMILESCc1nc2cccc(CN/C=C(/COC(=O)Nc3cccc4nc(C)n(C5CCC(=O)NC5=O)c(=O)c34)NN)c2c(=O)n1C1CCC(=O)NC1=O
InChIInChI=1S/C33H34N10O8/c1-16-36-20-6-3-5-18(27(20)31(48)42(16)23-9-11-25(44)39-29(23)46)13-35-14-19(41-34)15-51-33(50)38-22-8-4-7-21-28(22)32(49)43(17(2)37-21)24-10-12-26(45)40-30(24)47/h3-8,14,23-24,35,41H,9-13,15,34H2,1-2H3,(H,38,50)(H,39,44,46)(H,40,45,47)/b19-14-
InChIKeyMKHNQFNQMAOOHC-RGEXLXHISA-N
MW698.70 g/mol
LogP0.32
Rot. Bonds9

About [(Z)-3-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methylamino]-2-hydrazinylprop-2-enyl] N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]carbamate

[(Z)-3-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methylamino]-2-hydrazinylprop-2-enyl] N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]carbamate (PubChem CID 176669639) has the molecular formula C33H34N10O8 and a molecular weight of 698.70 g/mol. Its IUPAC name is [(Z)-3-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methylamino]-2-hydrazinylprop-2-enyl] N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]carbamate.

Molecular Properties

Compound Name[(Z)-3-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methylamino]-2-hydrazinylprop-2-enyl] N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]carbamate
PubChem CID176669639
Molecular FormulaC33H34N10O8
Molecular Weight698.70 g/mol
Exact Mass698.26
IUPAC Name[(Z)-3-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methylamino]-2-hydrazinylprop-2-enyl] N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]carbamate
SMILESCc1nc2cccc(CN/C=C(/COC(=O)Nc3cccc4nc(C)n(C5CCC(=O)NC5=O)c(=O)c34)NN)c2c(=O)n1C1CCC(=O)NC1=O
InChIInChI=1S/C33H34N10O8/c1-16-36-20-6-3-5-18(27(20)31(48)42(16)23-9-11-25(44)39-29(23)46)13-35-14-19(41-34)15-51-33(50)38-22-8-4-7-21-28(22)32(49)43(17(2)37-21)24-10-12-26(45)40-30(24)47/h3-8,14,23-24,35,41H,9-13,15,34H2,1-2H3,(H,38,50)(H,39,44,46)(H,40,45,47)/b19-14-
InChIKeyMKHNQFNQMAOOHC-RGEXLXHISA-N
XLogP0.32
TPSA250.53 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500698.70
LogP ≤ 50.32
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze [(Z)-3-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methylamino]-2-hydrazinylprop-2-enyl] N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]carbamate 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

[3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-5-yl]carbamoylmercury
CID 144668416
N'-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]-N-[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]decanediamide
CID 153393708
1-(3-chloro-4-methylphenyl)-3-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]urea
CID 24963670
4-chloro-N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]benzamide
CID 24963674
6-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]amino]hexyl carbamate
CID 175406178
N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]-4-(fluoromethyl)benzamide
CID 66656780
3-(5-hydroxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 146598490
[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl pyridine-2-carboxylate
CID 142699709
tert-butyl 6-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]amino]hexanoate
CID 167386080
[1-[2-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]amino]-2-oxoethyl]triazol-4-yl]methyl N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate
CID 151626886
N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]-4-(trifluoromethyl)cyclohexa-1,5-diene-1-carboxamide
CID 129170520
3-(2-methyl-4-oxo-5-prop-1-ynylquinazolin-3-yl)piperidine-2,6-dione
CID 155178271

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methylamino]-2-hydrazinylprop-2-enyl] N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]carbamate?
The IUPAC name of [(Z)-3-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methylamino]-2-hydrazinylprop-2-enyl] N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]carbamate (CID 176669639) is [(Z)-3-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methylamino]-2-hydrazinylprop-2-enyl] N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]carbamate.
What is the SMILES notation for [(Z)-3-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methylamino]-2-hydrazinylprop-2-enyl] N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]carbamate?
The canonical SMILES for [(Z)-3-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methylamino]-2-hydrazinylprop-2-enyl] N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]carbamate is Cc1nc2cccc(CN/C=C(/COC(=O)Nc3cccc4nc(C)n(C5CCC(=O)NC5=O)c(=O)c34)NN)c2c(=O)n1C1CCC(=O)NC1=O.
What is the InChIKey of [(Z)-3-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methylamino]-2-hydrazinylprop-2-enyl] N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]carbamate?
The InChIKey is MKHNQFNQMAOOHC-RGEXLXHISA-N. The full InChI is InChI=1S/C33H34N10O8/c1-16-36-20-6-3-5-18(27(20)31(48)42(16)23-9-11-25(44)39-29(23)46)13-35-14-19(41-34)15-51-33(50)38-22-8-4-7-21-28(22)32(49)43(17(2)37-21)24-10-12-26(45)40-30(24)47/h3-8,14,23-24,35,41H,9-13,15,34H2,1-2H3,(H,38,50)(H,39,44,46)(H,40,45,47)/b19-14-.
What are the key properties of [(Z)-3-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methylamino]-2-hydrazinylprop-2-enyl] N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]carbamate?
[(Z)-3-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methylamino]-2-hydrazinylprop-2-enyl] N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]carbamate has a molecular weight of 698.70 g/mol, XLogP of 0.32, 9 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methylamino]-2-hydrazinylprop-2-enyl] N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]carbamate is sourced from PubChem (CID 176669639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).