(3R)-3-(6,8-dichloro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione

C14H11Cl2N3O3 — CID 86345042

IUPAC(3R)-3-(6,8-dichloro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
SMILESCc1nc2c(Cl)cc(Cl)cc2c(=O)n1[C@@H]1CCC(=O)NC1=O
InChIInChI=1S/C14H11Cl2N3O3/c1-6-17-12-8(4-7(15)5-9(12)16)14(22)19(6)10-2-3-11(20)18-13(10)21/h4-5,10H,2-3H2,1H3,(H,18,20,21)/t10-/m1/s1
InChIKeySOUXXLLWQUKANK-SNVBAGLBSA-N
MW340.17 g/mol
LogP1.99
Rot. Bonds1

About (3R)-3-(6,8-dichloro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione

(3R)-3-(6,8-dichloro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione (PubChem CID 86345042) has the molecular formula C14H11Cl2N3O3 and a molecular weight of 340.17 g/mol. Its IUPAC name is (3R)-3-(6,8-dichloro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name(3R)-3-(6,8-dichloro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
PubChem CID86345042
Molecular FormulaC14H11Cl2N3O3
Molecular Weight340.17 g/mol
Exact Mass339.02
IUPAC Name(3R)-3-(6,8-dichloro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
SMILESCc1nc2c(Cl)cc(Cl)cc2c(=O)n1[C@@H]1CCC(=O)NC1=O
InChIInChI=1S/C14H11Cl2N3O3/c1-6-17-12-8(4-7(15)5-9(12)16)14(22)19(6)10-2-3-11(20)18-13(10)21/h4-5,10H,2-3H2,1H3,(H,18,20,21)/t10-/m1/s1
InChIKeySOUXXLLWQUKANK-SNVBAGLBSA-N
XLogP1.99
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3R)-3-(6,8-dichloro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione with MolForge

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Related Compounds

3-(7-chloro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 25235872
3-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 25235686
3-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 167418527
3-(2-methyl-6-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 68728143
2-(4-chlorophenyl)-N-[[3-[(3S)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide
CID 86343768
2-(4-chlorophenyl)-N-[[3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide
CID 86343767
3-(6-hydroxy-2-methyl-4-oxoquinazolin-3-yl)azepane-2,7-dione
CID 166818482
3-[6-[[(4-chloroanilino)methylamino]methyl]-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione
CID 123897363
3-[6-[[[2-(4-chlorophenyl)-1-hydroxyethyl]amino]methyl]-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione
CID 129120524
(3R)-3-(5-amino-7-fluoro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 146338076
3-(5-hydroxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 146598490
2-(4-chlorophenyl)-N-[[3-(2,7-dioxoazepan-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide
CID 166818510

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(6,8-dichloro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
The IUPAC name of (3R)-3-(6,8-dichloro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione (CID 86345042) is (3R)-3-(6,8-dichloro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione.
What is the SMILES notation for (3R)-3-(6,8-dichloro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
The canonical SMILES for (3R)-3-(6,8-dichloro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione is Cc1nc2c(Cl)cc(Cl)cc2c(=O)n1[C@@H]1CCC(=O)NC1=O.
What is the InChIKey of (3R)-3-(6,8-dichloro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
The InChIKey is SOUXXLLWQUKANK-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H11Cl2N3O3/c1-6-17-12-8(4-7(15)5-9(12)16)14(22)19(6)10-2-3-11(20)18-13(10)21/h4-5,10H,2-3H2,1H3,(H,18,20,21)/t10-/m1/s1.
What are the key properties of (3R)-3-(6,8-dichloro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
(3R)-3-(6,8-dichloro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione has a molecular weight of 340.17 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(6,8-dichloro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 86345042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).