2-butyl-5-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one

C20H24N2O2 — CID 159346483

IUPAC2-butyl-5-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one
SMILESC=C1CCC(n2c(CCCC)nc3cccc(C)c3c2=O)C(=O)C1
InChIInChI=1S/C20H24N2O2/c1-4-5-9-18-21-15-8-6-7-14(3)19(15)20(24)22(18)16-11-10-13(2)12-17(16)23/h6-8,16H,2,4-5,9-12H2,1,3H3
InChIKeyZBUGZDJGQZCPJL-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.90
Rot. Bonds4

About 2-butyl-5-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one

2-butyl-5-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one (PubChem CID 159346483) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-butyl-5-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one.

Molecular Properties

Compound Name2-butyl-5-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one
PubChem CID159346483
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-butyl-5-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one
SMILESC=C1CCC(n2c(CCCC)nc3cccc(C)c3c2=O)C(=O)C1
InChIInChI=1S/C20H24N2O2/c1-4-5-9-18-21-15-8-6-7-14(3)19(15)20(24)22(18)16-11-10-13(2)12-17(16)23/h6-8,16H,2,4-5,9-12H2,1,3H3
InChIKeyZBUGZDJGQZCPJL-UHFFFAOYSA-N
XLogP3.90
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[3-(4-chlorophenyl)-3-oxopropyl]-2-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one
CID 58252843
tert-butyl N-[[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]methyl]carbamate
CID 58252856
2-ethyl-5-methyl-3-piperidin-4-ylquinazolin-4-one
CID 155183354
1-(3-chloro-4-methylphenyl)-3-[[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]methyl]urea
CID 158843304
3-[5-methyl-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]piperidine-2,6-dione
CID 24967597
[5-[(2-butyl-5-methyl-4-oxoquinazolin-3-yl)methyl]-2-pyridinyl] cyclopentanecarboxylate
CID 175295208
3-(2,4-dioxocyclohexyl)-5-methyl-1H-quinazoline-2,4-dione
CID 147237842
2-(dimethylamino)-N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]acetamide;3,3-dimethyl-N-[[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]methyl]butanamide;methane;N-[[2-methyl-3-(4-methylidene-2-oxocyclohexyl)-4-oxoquinazolin-5-yl]methyl]heptanamide;N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]cyclopropanecarboxamide
CID 161308394
4-[2-methyl-5-[3-(4-methylsulfanylphenyl)-3-oxopropyl]-4-oxoquinazolin-3-yl]cyclohexane-1,3-dione
CID 159878493
2-chloro-5-methyl-3-pyrrolidin-2-ylquinazolin-4-one
CID 117263619
(3S)-3-(5-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 129210548
3-(5-hydroxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 146598490

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one?
The IUPAC name of 2-butyl-5-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one (CID 159346483) is 2-butyl-5-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one.
What is the SMILES notation for 2-butyl-5-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one?
The canonical SMILES for 2-butyl-5-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one is C=C1CCC(n2c(CCCC)nc3cccc(C)c3c2=O)C(=O)C1.
What is the InChIKey of 2-butyl-5-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one?
The InChIKey is ZBUGZDJGQZCPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-4-5-9-18-21-15-8-6-7-14(3)19(15)20(24)22(18)16-11-10-13(2)12-17(16)23/h6-8,16H,2,4-5,9-12H2,1,3H3.
What are the key properties of 2-butyl-5-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one?
2-butyl-5-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one has a molecular weight of 324.42 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-methyl-3-(4-methylidene-2-oxocyclohexyl)quinazolin-4-one is sourced from PubChem (CID 159346483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).