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

C14H13N3O3 — CID 129210548

IUPAC(3S)-3-(5-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
SMILESCc1cccc2ncn([C@H]3CCC(=O)NC3=O)c(=O)c12
InChIInChI=1S/C14H13N3O3/c1-8-3-2-4-9-12(8)14(20)17(7-15-9)10-5-6-11(18)16-13(10)19/h2-4,7,10H,5-6H2,1H3,(H,16,18,19)/t10-/m0/s1
InChIKeyPNFLHEPSSARJRC-JTQLQIEISA-N
MW271.28 g/mol
LogP0.68
Rot. Bonds1

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

(3S)-3-(5-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione (PubChem CID 129210548) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is (3S)-3-(5-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name(3S)-3-(5-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
PubChem CID129210548
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name(3S)-3-(5-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
SMILESCc1cccc2ncn([C@H]3CCC(=O)NC3=O)c(=O)c12
InChIInChI=1S/C14H13N3O3/c1-8-3-2-4-9-12(8)14(20)17(7-15-9)10-5-6-11(18)16-13(10)19/h2-4,7,10H,5-6H2,1H3,(H,16,18,19)/t10-/m0/s1
InChIKeyPNFLHEPSSARJRC-JTQLQIEISA-N
XLogP0.68
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Related Compounds

3-(5-fluoro-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 156837320
3-[5-methyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]piperidine-2,6-dione
CID 24967597
ethane;3-(6-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione;molecular hydrogen
CID 171626775
3-[4-oxo-5-[[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methylamino]quinazolin-3-yl]piperidine-2,6-dione
CID 156837203
3-(5-hydroxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 146598490
3-(4-methylindol-1-yl)piperidine-2,6-dione
CID 167418675
3-(5-methyl-4-oxo-1,2,3-benzotriazin-1-yl)piperidine-2,6-dione
CID 171801888
3-(5-methylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 142616477
ethane;3-(5-methylpyrido[2,3-b]indol-9-yl)piperidine-2,6-dione
CID 156795243
3-(2-methyl-4-oxo-5-prop-1-ynylquinazolin-3-yl)piperidine-2,6-dione
CID 155178271
(3S)-3-(4-oxoquinazolin-3-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 51721884
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 (3S)-3-(5-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
The IUPAC name of (3S)-3-(5-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione (CID 129210548) is (3S)-3-(5-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione.
What is the SMILES notation for (3S)-3-(5-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
The canonical SMILES for (3S)-3-(5-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione is Cc1cccc2ncn([C@H]3CCC(=O)NC3=O)c(=O)c12.
What is the InChIKey of (3S)-3-(5-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
The InChIKey is PNFLHEPSSARJRC-JTQLQIEISA-N. The full InChI is InChI=1S/C14H13N3O3/c1-8-3-2-4-9-12(8)14(20)17(7-15-9)10-5-6-11(18)16-13(10)19/h2-4,7,10H,5-6H2,1H3,(H,16,18,19)/t10-/m0/s1.
What are the key properties of (3S)-3-(5-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
(3S)-3-(5-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione has a molecular weight of 271.28 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(5-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 129210548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).