6-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]amino]hexyl carbamate

C21H27N5O5 — CID 175406178

IUPAC6-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]amino]hexyl carbamate
SMILESCc1nc2cccc(NCCCCCCOC(N)=O)c2c(=O)n1C1CCC(=O)NC1=O
InChIInChI=1S/C21H27N5O5/c1-13-24-15-8-6-7-14(23-11-4-2-3-5-12-31-21(22)30)18(15)20(29)26(13)16-9-10-17(27)25-19(16)28/h6-8,16,23H,2-5,9-12H2,1H3,(H2,22,30)(H,25,27,28)
InChIKeyYGOOHSLVEDKFTP-UHFFFAOYSA-N
MW429.48 g/mol
LogP1.75
Rot. Bonds9

About 6-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]amino]hexyl carbamate

6-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]amino]hexyl carbamate (PubChem CID 175406178) has the molecular formula C21H27N5O5 and a molecular weight of 429.48 g/mol. Its IUPAC name is 6-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]amino]hexyl carbamate.

Molecular Properties

Compound Name6-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]amino]hexyl carbamate
PubChem CID175406178
Molecular FormulaC21H27N5O5
Molecular Weight429.48 g/mol
Exact Mass429.20
IUPAC Name6-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]amino]hexyl carbamate
SMILESCc1nc2cccc(NCCCCCCOC(N)=O)c2c(=O)n1C1CCC(=O)NC1=O
InChIInChI=1S/C21H27N5O5/c1-13-24-15-8-6-7-14(23-11-4-2-3-5-12-31-21(22)30)18(15)20(29)26(13)16-9-10-17(27)25-19(16)28/h6-8,16,23H,2-5,9-12H2,1H3,(H2,22,30)(H,25,27,28)
InChIKeyYGOOHSLVEDKFTP-UHFFFAOYSA-N
XLogP1.75
TPSA145.41 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]amino]hexyl carbamate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 6-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]amino]hexanoate
CID 167386080
3-[5-[6-(1-adamantylamino)hexylamino]-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione
CID 169093683
[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
5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl carbamate
CID 175555620
3-(5-hydroxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 146598490
4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl carbamate
CID 175445106
3-[2-methyl-5-[7-(4-methylpiperazin-1-yl)heptoxy]-4-oxoquinazolin-3-yl]piperidine-2,6-dione
CID 169093645
(3S)-3-[5-[[(3S)-5-(1-adamantylamino)-3-sulfanylpentyl]amino]-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione
CID 169093644
3-(2-methyl-4-oxo-5-prop-1-ynylquinazolin-3-yl)piperidine-2,6-dione
CID 155178271
tert-butyl 6-[[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-5-yl]amino]hexanoate
CID 154675468
[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl pyridine-2-carboxylate
CID 142699709

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]amino]hexyl carbamate?
The IUPAC name of 6-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]amino]hexyl carbamate (CID 175406178) is 6-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]amino]hexyl carbamate.
What is the SMILES notation for 6-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]amino]hexyl carbamate?
The canonical SMILES for 6-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]amino]hexyl carbamate is Cc1nc2cccc(NCCCCCCOC(N)=O)c2c(=O)n1C1CCC(=O)NC1=O.
What is the InChIKey of 6-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]amino]hexyl carbamate?
The InChIKey is YGOOHSLVEDKFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O5/c1-13-24-15-8-6-7-14(23-11-4-2-3-5-12-31-21(22)30)18(15)20(29)26(13)16-9-10-17(27)25-19(16)28/h6-8,16,23H,2-5,9-12H2,1H3,(H2,22,30)(H,25,27,28).
What are the key properties of 6-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]amino]hexyl carbamate?
6-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]amino]hexyl carbamate has a molecular weight of 429.48 g/mol, XLogP of 1.75, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]amino]hexyl carbamate is sourced from PubChem (CID 175406178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).