3-[[4-(3-oxopiperazine-1-carbonyl)cyclohexyl]methyl]-1H-quinazoline-2,4-dione

C20H24N4O4 — CID 39314217

IUPAC3-[[4-(3-oxopiperazine-1-carbonyl)cyclohexyl]methyl]-1H-quinazoline-2,4-dione
SMILESO=C1CN(C(=O)C2CCC(Cn3c(=O)[nH]c4ccccc4c3=O)CC2)CCN1
InChIInChI=1S/C20H24N4O4/c25-17-12-23(10-9-21-17)18(26)14-7-5-13(6-8-14)11-24-19(27)15-3-1-2-4-16(15)22-20(24)28/h1-4,13-14H,5-12H2,(H,21,25)(H,22,28)
InChIKeyFBFBKBGLPBMSAZ-UHFFFAOYSA-N
MW384.44 g/mol
LogP0.45
Rot. Bonds3

About 3-[[4-(3-oxopiperazine-1-carbonyl)cyclohexyl]methyl]-1H-quinazoline-2,4-dione

3-[[4-(3-oxopiperazine-1-carbonyl)cyclohexyl]methyl]-1H-quinazoline-2,4-dione (PubChem CID 39314217) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 3-[[4-(3-oxopiperazine-1-carbonyl)cyclohexyl]methyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[[4-(3-oxopiperazine-1-carbonyl)cyclohexyl]methyl]-1H-quinazoline-2,4-dione
PubChem CID39314217
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name3-[[4-(3-oxopiperazine-1-carbonyl)cyclohexyl]methyl]-1H-quinazoline-2,4-dione
SMILESO=C1CN(C(=O)C2CCC(Cn3c(=O)[nH]c4ccccc4c3=O)CC2)CCN1
InChIInChI=1S/C20H24N4O4/c25-17-12-23(10-9-21-17)18(26)14-7-5-13(6-8-14)11-24-19(27)15-3-1-2-4-16(15)22-20(24)28/h1-4,13-14H,5-12H2,(H,21,25)(H,22,28)
InChIKeyFBFBKBGLPBMSAZ-UHFFFAOYSA-N
XLogP0.45
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[4-(3-oxopiperazine-1-carbonyl)cyclohexyl]methyl]-1H-quinazoline-2,4-dione with MolForge

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Related Compounds

N-(4-acetamidophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide
CID 4907682
4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-pyridin-3-ylcyclohexane-1-carboxamide
CID 4911387
lithium;4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxylic acid;methyl 4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxylate;hydroxide
CID 158566763
ethyl 1-[4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]cyclohexanecarbonyl]piperidine-4-carboxylate
CID 15995417
tert-butyl 4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]piperidine-1-carboxylate
CID 121374314
methyl 3-[[4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexanecarbonyl]amino]propanoate
CID 39354221
4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(3-ethoxypropyl)cyclohexane-1-carboxamide
CID 22588201
N-(2,4-difluorophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide
CID 4911578
methyl 2-[[4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexanecarbonyl]amino]-4-methylpentanoate
CID 171138518
3-[(3-hydroxycyclohexyl)methyl]-1H-quinazoline-2,4-dione
CID 111466203
3-[[(3R)-oxolan-3-yl]methyl]-1H-quinazoline-2,4-dione
CID 94025623
6,7-diethoxy-3-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]-1H-quinazoline-2,4-dione
CID 22588222

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3-oxopiperazine-1-carbonyl)cyclohexyl]methyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[[4-(3-oxopiperazine-1-carbonyl)cyclohexyl]methyl]-1H-quinazoline-2,4-dione (CID 39314217) is 3-[[4-(3-oxopiperazine-1-carbonyl)cyclohexyl]methyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[[4-(3-oxopiperazine-1-carbonyl)cyclohexyl]methyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[[4-(3-oxopiperazine-1-carbonyl)cyclohexyl]methyl]-1H-quinazoline-2,4-dione is O=C1CN(C(=O)C2CCC(Cn3c(=O)[nH]c4ccccc4c3=O)CC2)CCN1.
What is the InChIKey of 3-[[4-(3-oxopiperazine-1-carbonyl)cyclohexyl]methyl]-1H-quinazoline-2,4-dione?
The InChIKey is FBFBKBGLPBMSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c25-17-12-23(10-9-21-17)18(26)14-7-5-13(6-8-14)11-24-19(27)15-3-1-2-4-16(15)22-20(24)28/h1-4,13-14H,5-12H2,(H,21,25)(H,22,28).
What are the key properties of 3-[[4-(3-oxopiperazine-1-carbonyl)cyclohexyl]methyl]-1H-quinazoline-2,4-dione?
3-[[4-(3-oxopiperazine-1-carbonyl)cyclohexyl]methyl]-1H-quinazoline-2,4-dione has a molecular weight of 384.44 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3-oxopiperazine-1-carbonyl)cyclohexyl]methyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 39314217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).