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

C39H44N8O7 — CID 153393708

IUPACN'-[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
SMILESC=C1CCC(n2c(C)nc3cccc(NC(=O)CCCCCCCCC(=O)Nc4cccc5nc(C)n(C6CCC(=O)NC6=O)c(=O)c45)c3c2=O)C(=O)N1
InChIInChI=1S/C39H44N8O7/c1-22-18-19-29(36(51)40-22)46-23(2)41-25-12-10-14-27(34(25)38(46)53)43-31(48)16-8-6-4-5-7-9-17-32(49)44-28-15-11-13-26-35(28)39(54)47(24(3)42-26)30-20-21-33(50)45-37(30)52/h10-15,29-30H,1,4-9,16-21H2,2-3H3,(H,40,51)(H,43,48)(H,44,49)(H,45,50,52)
InChIKeyHPULZGBMLNUWST-UHFFFAOYSA-N
MW736.83 g/mol
LogP4.36
Rot. Bonds13

About 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

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 (PubChem CID 153393708) has the molecular formula C39H44N8O7 and a molecular weight of 736.83 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN'-[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
PubChem CID153393708
Molecular FormulaC39H44N8O7
Molecular Weight736.83 g/mol
Exact Mass736.33
IUPAC NameN'-[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
SMILESC=C1CCC(n2c(C)nc3cccc(NC(=O)CCCCCCCCC(=O)Nc4cccc5nc(C)n(C6CCC(=O)NC6=O)c(=O)c45)c3c2=O)C(=O)N1
InChIInChI=1S/C39H44N8O7/c1-22-18-19-29(36(51)40-22)46-23(2)41-25-12-10-14-27(34(25)38(46)53)43-31(48)16-8-6-4-5-7-9-17-32(49)44-28-15-11-13-26-35(28)39(54)47(24(3)42-26)30-20-21-33(50)45-37(30)52/h10-15,29-30H,1,4-9,16-21H2,2-3H3,(H,40,51)(H,43,48)(H,44,49)(H,45,50,52)
InChIKeyHPULZGBMLNUWST-UHFFFAOYSA-N
XLogP4.36
TPSA203.25 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.83
LogP ≤ 54.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

[3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-5-yl]carbamoylmercury
CID 144668416
tert-butyl 6-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]amino]hexanoate
CID 167386080
6-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]amino]hexyl carbamate
CID 175406178
3-(5-hydroxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 146598490
[(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
3-[5-[6-(1-adamantylamino)hexylamino]-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione
CID 169093683
3-(2-methyl-4-oxo-5-prop-1-ynylquinazolin-3-yl)piperidine-2,6-dione
CID 155178271
N-[3-(2,6-dioxopiperidin-3-yl)-4-oxophthalazin-5-yl]tridecanamide
CID 170207210
N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]heptanamide
CID 123383875
4-[[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]amino]methyl]-N-(3-ethylhex-5-en-3-yl)cyclohexane-1-carboxamide
CID 170239674
[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
ethane;3-(2-methyl-5-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 144585990

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C1CCC(n2c(C)nc3cccc(NC(=O)CCCCCCCCC(=O)Nc4cccc5nc(C)n(C6CCC(=O)NC6=O)c(=O)c45)c3c2=O)C(=O)N1.
What is the InChIKey of 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?
The InChIKey is HPULZGBMLNUWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H44N8O7/c1-22-18-19-29(36(51)40-22)46-23(2)41-25-12-10-14-27(34(25)38(46)53)43-31(48)16-8-6-4-5-7-9-17-32(49)44-28-15-11-13-26-35(28)39(54)47(24(3)42-26)30-20-21-33(50)45-37(30)52/h10-15,29-30H,1,4-9,16-21H2,2-3H3,(H,40,51)(H,43,48)(H,44,49)(H,45,50,52).
What are the key properties of 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?
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 has a molecular weight of 736.83 g/mol, XLogP of 4.36, 13 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 153393708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).