(3S)-3-(7-amino-2-methyl-4-oxoquinazolin-3-yl)-3-methylpiperidine-2,6-dione

C15H16N4O3 — CID 147342088

IUPAC(3S)-3-(7-amino-2-methyl-4-oxoquinazolin-3-yl)-3-methylpiperidine-2,6-dione
SMILESCc1nc2cc(N)ccc2c(=O)n1[C@@]1(C)CCC(=O)NC1=O
InChIInChI=1S/C15H16N4O3/c1-8-17-11-7-9(16)3-4-10(11)13(21)19(8)15(2)6-5-12(20)18-14(15)22/h3-4,7H,5-6,16H2,1-2H3,(H,18,20,22)/t15-/m0/s1
InChIKeyDDRWXQPEMDTVMI-HNNXBMFYSA-N
MW300.32 g/mol
LogP0.44
Rot. Bonds1

About (3S)-3-(7-amino-2-methyl-4-oxoquinazolin-3-yl)-3-methylpiperidine-2,6-dione

(3S)-3-(7-amino-2-methyl-4-oxoquinazolin-3-yl)-3-methylpiperidine-2,6-dione (PubChem CID 147342088) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is (3S)-3-(7-amino-2-methyl-4-oxoquinazolin-3-yl)-3-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name(3S)-3-(7-amino-2-methyl-4-oxoquinazolin-3-yl)-3-methylpiperidine-2,6-dione
PubChem CID147342088
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name(3S)-3-(7-amino-2-methyl-4-oxoquinazolin-3-yl)-3-methylpiperidine-2,6-dione
SMILESCc1nc2cc(N)ccc2c(=O)n1[C@@]1(C)CCC(=O)NC1=O
InChIInChI=1S/C15H16N4O3/c1-8-17-11-7-9(16)3-4-10(11)13(21)19(8)15(2)6-5-12(20)18-14(15)22/h3-4,7H,5-6,16H2,1-2H3,(H,18,20,22)/t15-/m0/s1
InChIKeyDDRWXQPEMDTVMI-HNNXBMFYSA-N
XLogP0.44
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.44
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'}

Analyze (3S)-3-(7-amino-2-methyl-4-oxoquinazolin-3-yl)-3-methylpiperidine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

(3S)-3-methyl-3-(2-methyl-4-oxobenzo[g]quinazolin-3-yl)piperidine-2,6-dione
CID 159755241
(3R)-3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)-3-methylpiperidine-2,6-dione
CID 24964387
3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione
CID 156677524
(3R)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;(3S)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-(trideuteriomethyl)piperidine-2,6-dione
CID 158525132
5-(aminomethyl)-2-methyl-3-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]quinazolin-4-one;(3R)-3-[5-(aminomethyl)-2-methyl-4-oxoquinazolin-3-yl]-3-methylpiperidine-2,6-dione;5-ethyl-2-methyl-3-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]quinazolin-4-one;(3R)-3-(5-ethyl-2-methyl-4-oxoquinazolin-3-yl)-3-methylpiperidine-2,6-dione
CID 158452820
2,5-dimethyl-3-[(3R)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]quinazolin-4-one
CID 58252799
CID 174089779
CID 174089779
1-[[2-methyl-3-(3-methyl-2,7-dioxoazepan-3-yl)-4-oxoquinazolin-6-yl]methyl]-3-(3-methylphenyl)urea
CID 163926206
CID 174089758
CID 174089758
3-(5-amino-4-oxo-1,2,3-benzotriazin-3-yl)-3-methylpiperidine-2,6-dione
CID 142748642
(3R)-3-(5-amino-6,7,8-trideuterio-2-methyl-4-oxoquinazolin-3-yl)-4,4,5,5-tetradeuterio-3-methylpiperidine-2,6-dione
CID 156677514
3-[2,7-dimethyl-6-(2-methylpropyl)-4-oxoquinazolin-3-yl]-1,3-dimethylpiperidine-2,6-dione
CID 174121349

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(7-amino-2-methyl-4-oxoquinazolin-3-yl)-3-methylpiperidine-2,6-dione?
The IUPAC name of (3S)-3-(7-amino-2-methyl-4-oxoquinazolin-3-yl)-3-methylpiperidine-2,6-dione (CID 147342088) is (3S)-3-(7-amino-2-methyl-4-oxoquinazolin-3-yl)-3-methylpiperidine-2,6-dione.
What is the SMILES notation for (3S)-3-(7-amino-2-methyl-4-oxoquinazolin-3-yl)-3-methylpiperidine-2,6-dione?
The canonical SMILES for (3S)-3-(7-amino-2-methyl-4-oxoquinazolin-3-yl)-3-methylpiperidine-2,6-dione is Cc1nc2cc(N)ccc2c(=O)n1[C@@]1(C)CCC(=O)NC1=O.
What is the InChIKey of (3S)-3-(7-amino-2-methyl-4-oxoquinazolin-3-yl)-3-methylpiperidine-2,6-dione?
The InChIKey is DDRWXQPEMDTVMI-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-8-17-11-7-9(16)3-4-10(11)13(21)19(8)15(2)6-5-12(20)18-14(15)22/h3-4,7H,5-6,16H2,1-2H3,(H,18,20,22)/t15-/m0/s1.
What are the key properties of (3S)-3-(7-amino-2-methyl-4-oxoquinazolin-3-yl)-3-methylpiperidine-2,6-dione?
(3S)-3-(7-amino-2-methyl-4-oxoquinazolin-3-yl)-3-methylpiperidine-2,6-dione has a molecular weight of 300.32 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(7-amino-2-methyl-4-oxoquinazolin-3-yl)-3-methylpiperidine-2,6-dione is sourced from PubChem (CID 147342088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).