(3S)-3-methyl-3-(2-methyl-4-oxobenzo[g]quinazolin-3-yl)piperidine-2,6-dione

C19H17N3O3 — CID 159755241

IUPAC(3S)-3-methyl-3-(2-methyl-4-oxobenzo[g]quinazolin-3-yl)piperidine-2,6-dione
SMILESCc1nc2cc3ccccc3cc2c(=O)n1[C@@]1(C)CCC(=O)NC1=O
InChIInChI=1S/C19H17N3O3/c1-11-20-15-10-13-6-4-3-5-12(13)9-14(15)17(24)22(11)19(2)8-7-16(23)21-18(19)25/h3-6,9-10H,7-8H2,1-2H3,(H,21,23,25)/t19-/m0/s1
InChIKeyBWLIIVJEEWCTDT-IBGZPJMESA-N
MW335.36 g/mol
LogP2.01
Rot. Bonds1

About (3S)-3-methyl-3-(2-methyl-4-oxobenzo[g]quinazolin-3-yl)piperidine-2,6-dione

(3S)-3-methyl-3-(2-methyl-4-oxobenzo[g]quinazolin-3-yl)piperidine-2,6-dione (PubChem CID 159755241) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is (3S)-3-methyl-3-(2-methyl-4-oxobenzo[g]quinazolin-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name(3S)-3-methyl-3-(2-methyl-4-oxobenzo[g]quinazolin-3-yl)piperidine-2,6-dione
PubChem CID159755241
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name(3S)-3-methyl-3-(2-methyl-4-oxobenzo[g]quinazolin-3-yl)piperidine-2,6-dione
SMILESCc1nc2cc3ccccc3cc2c(=O)n1[C@@]1(C)CCC(=O)NC1=O
InChIInChI=1S/C19H17N3O3/c1-11-20-15-10-13-6-4-3-5-12(13)9-14(15)17(24)22(11)19(2)8-7-16(23)21-18(19)25/h3-6,9-10H,7-8H2,1-2H3,(H,21,23,25)/t19-/m0/s1
InChIKeyBWLIIVJEEWCTDT-IBGZPJMESA-N
XLogP2.01
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze (3S)-3-methyl-3-(2-methyl-4-oxobenzo[g]quinazolin-3-yl)piperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-(7-amino-2-methyl-4-oxoquinazolin-3-yl)-3-methylpiperidine-2,6-dione
CID 147342088
(3R)-3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)-3-methylpiperidine-2,6-dione
CID 24964387
(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
3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione
CID 156677524
2,3-dimethylbenzo[g]quinazolin-4-one
CID 95562416
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
1-[[2-methyl-3-(3-methyl-2,7-dioxoazepan-3-yl)-4-oxoquinazolin-6-yl]methyl]-3-(3-methylphenyl)urea
CID 163926206
2,5-dimethyl-3-[(3R)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]quinazolin-4-one
CID 58252799
benzyl (3S)-3-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-2-hydroxy-6-oxopiperidine-3-carboxylate
CID 146356951
CID 174089758
CID 174089758
ethane;2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 163267686
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-methyl-3-(2-methyl-4-oxobenzo[g]quinazolin-3-yl)piperidine-2,6-dione?
The IUPAC name of (3S)-3-methyl-3-(2-methyl-4-oxobenzo[g]quinazolin-3-yl)piperidine-2,6-dione (CID 159755241) is (3S)-3-methyl-3-(2-methyl-4-oxobenzo[g]quinazolin-3-yl)piperidine-2,6-dione.
What is the SMILES notation for (3S)-3-methyl-3-(2-methyl-4-oxobenzo[g]quinazolin-3-yl)piperidine-2,6-dione?
The canonical SMILES for (3S)-3-methyl-3-(2-methyl-4-oxobenzo[g]quinazolin-3-yl)piperidine-2,6-dione is Cc1nc2cc3ccccc3cc2c(=O)n1[C@@]1(C)CCC(=O)NC1=O.
What is the InChIKey of (3S)-3-methyl-3-(2-methyl-4-oxobenzo[g]quinazolin-3-yl)piperidine-2,6-dione?
The InChIKey is BWLIIVJEEWCTDT-IBGZPJMESA-N. The full InChI is InChI=1S/C19H17N3O3/c1-11-20-15-10-13-6-4-3-5-12(13)9-14(15)17(24)22(11)19(2)8-7-16(23)21-18(19)25/h3-6,9-10H,7-8H2,1-2H3,(H,21,23,25)/t19-/m0/s1.
What are the key properties of (3S)-3-methyl-3-(2-methyl-4-oxobenzo[g]quinazolin-3-yl)piperidine-2,6-dione?
(3S)-3-methyl-3-(2-methyl-4-oxobenzo[g]quinazolin-3-yl)piperidine-2,6-dione has a molecular weight of 335.36 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-3-(2-methyl-4-oxobenzo[g]quinazolin-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 159755241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).