(3R)-3-(5-amino-7-fluoro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione

C14H13FN4O3 — CID 146338076

IUPAC(3R)-3-(5-amino-7-fluoro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
SMILESCc1nc2cc(F)cc(N)c2c(=O)n1[C@@H]1CCC(=O)NC1=O
InChIInChI=1S/C14H13FN4O3/c1-6-17-9-5-7(15)4-8(16)12(9)14(22)19(6)10-2-3-11(20)18-13(10)21/h4-5,10H,2-3,16H2,1H3,(H,18,20,21)/t10-/m1/s1
InChIKeyPNJKRTKAMKCINR-SNVBAGLBSA-N
MW304.28 g/mol
LogP0.40
Rot. Bonds1

About (3R)-3-(5-amino-7-fluoro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione

(3R)-3-(5-amino-7-fluoro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione (PubChem CID 146338076) has the molecular formula C14H13FN4O3 and a molecular weight of 304.28 g/mol. Its IUPAC name is (3R)-3-(5-amino-7-fluoro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name(3R)-3-(5-amino-7-fluoro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
PubChem CID146338076
Molecular FormulaC14H13FN4O3
Molecular Weight304.28 g/mol
Exact Mass304.10
IUPAC Name(3R)-3-(5-amino-7-fluoro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
SMILESCc1nc2cc(F)cc(N)c2c(=O)n1[C@@H]1CCC(=O)NC1=O
InChIInChI=1S/C14H13FN4O3/c1-6-17-9-5-7(15)4-8(16)12(9)14(22)19(6)10-2-3-11(20)18-13(10)21/h4-5,10H,2-3,16H2,1H3,(H,18,20,21)/t10-/m1/s1
InChIKeyPNJKRTKAMKCINR-SNVBAGLBSA-N
XLogP0.40
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(5-amino-7-fluoro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
The IUPAC name of (3R)-3-(5-amino-7-fluoro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione (CID 146338076) is (3R)-3-(5-amino-7-fluoro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione.
What is the SMILES notation for (3R)-3-(5-amino-7-fluoro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
The canonical SMILES for (3R)-3-(5-amino-7-fluoro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione is Cc1nc2cc(F)cc(N)c2c(=O)n1[C@@H]1CCC(=O)NC1=O.
What is the InChIKey of (3R)-3-(5-amino-7-fluoro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
The InChIKey is PNJKRTKAMKCINR-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H13FN4O3/c1-6-17-9-5-7(15)4-8(16)12(9)14(22)19(6)10-2-3-11(20)18-13(10)21/h4-5,10H,2-3,16H2,1H3,(H,18,20,21)/t10-/m1/s1.
What are the key properties of (3R)-3-(5-amino-7-fluoro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione?
(3R)-3-(5-amino-7-fluoro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione has a molecular weight of 304.28 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(5-amino-7-fluoro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 146338076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).