(3R)-3-(5-cycloheptyliodanuidyl-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione

C21H25IN3O3- — CID 164567289

IUPAC(3R)-3-(5-cycloheptyliodanuidyl-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
SMILESCc1nc2cccc([I-]C3CCCCCC3)c2c(=O)n1[C@@H]1CCC(=O)NC1=O
InChIInChI=1S/C21H25IN3O3/c1-13-23-16-10-6-9-15(22-14-7-4-2-3-5-8-14)19(16)21(28)25(13)17-11-12-18(26)24-20(17)27/h6,9-10,14,17H,2-5,7-8,11-12H2,1H3,(H,24,26,27)/q-1/t17-/m1/s1
InChIKeyKTVYSGXCXFYFPE-QGZVFWFLSA-N
MW494.35 g/mol
LogP-0.34
Rot. Bonds3

About (3R)-3-(5-cycloheptyliodanuidyl-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione

(3R)-3-(5-cycloheptyliodanuidyl-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione (PubChem CID 164567289) has the molecular formula C21H25IN3O3- and a molecular weight of 494.35 g/mol. Its IUPAC name is (3R)-3-(5-cycloheptyliodanuidyl-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name(3R)-3-(5-cycloheptyliodanuidyl-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
PubChem CID164567289
Molecular FormulaC21H25IN3O3-
Molecular Weight494.35 g/mol
Exact Mass494.09
IUPAC Name(3R)-3-(5-cycloheptyliodanuidyl-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
SMILESCc1nc2cccc([I-]C3CCCCCC3)c2c(=O)n1[C@@H]1CCC(=O)NC1=O
InChIInChI=1S/C21H25IN3O3/c1-13-23-16-10-6-9-15(22-14-7-4-2-3-5-8-14)19(16)21(28)25(13)17-11-12-18(26)24-20(17)27/h6,9-10,14,17H,2-5,7-8,11-12H2,1H3,(H,24,26,27)/q-1/t17-/m1/s1
InChIKeyKTVYSGXCXFYFPE-QGZVFWFLSA-N
XLogP-0.34
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.35
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3R)-3-(5-cycloheptyliodanuidyl-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

3-(5-hydroxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 146598490
3-(2-methyl-4-oxo-5-prop-1-ynylquinazolin-3-yl)piperidine-2,6-dione
CID 155178271
ethane;3-(2-methyl-5-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 144585990
[3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-5-yl]carbamoylmercury
CID 144668416
3-[5-[3-[4-(azepan-1-ylmethyl)phenyl]prop-1-ynyl]-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione
CID 162729005
3-[5-methyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]piperidine-2,6-dione
CID 24967597
N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]-4-(fluoromethyl)benzamide
CID 66656780
3-[5-[6-(1-adamantylamino)hexylamino]-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione
CID 169093683
(3R)-3-(5-amino-7-fluoro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 146338076
5-amino-3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazoline-7-carbonitrile
CID 146338206
3-[2-methyl-5-[7-(4-methylpiperazin-1-yl)heptoxy]-4-oxoquinazolin-3-yl]piperidine-2,6-dione
CID 169093645
4-chloro-N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]methyl]benzamide
CID 24963674

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(5-cycloheptyliodanuidyl-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
The IUPAC name of (3R)-3-(5-cycloheptyliodanuidyl-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione (CID 164567289) is (3R)-3-(5-cycloheptyliodanuidyl-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione.
What is the SMILES notation for (3R)-3-(5-cycloheptyliodanuidyl-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
The canonical SMILES for (3R)-3-(5-cycloheptyliodanuidyl-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione is Cc1nc2cccc([I-]C3CCCCCC3)c2c(=O)n1[C@@H]1CCC(=O)NC1=O.
What is the InChIKey of (3R)-3-(5-cycloheptyliodanuidyl-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
The InChIKey is KTVYSGXCXFYFPE-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H25IN3O3/c1-13-23-16-10-6-9-15(22-14-7-4-2-3-5-8-14)19(16)21(28)25(13)17-11-12-18(26)24-20(17)27/h6,9-10,14,17H,2-5,7-8,11-12H2,1H3,(H,24,26,27)/q-1/t17-/m1/s1.
What are the key properties of (3R)-3-(5-cycloheptyliodanuidyl-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
(3R)-3-(5-cycloheptyliodanuidyl-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione has a molecular weight of 494.35 g/mol, XLogP of -0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(5-cycloheptyliodanuidyl-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 164567289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).