3-ethyl-7-[[4-(4-oxopyrido[1,2-a]pyrimidin-8-yl)piperazin-1-yl]methyl]-1H-quinazoline-2,4-dione

C23H24N6O3 — CID 169102538

IUPAC3-ethyl-7-[[4-(4-oxopyrido[1,2-a]pyrimidin-8-yl)piperazin-1-yl]methyl]-1H-quinazoline-2,4-dione
SMILESCCn1c(=O)[nH]c2cc(CN3CCN(c4ccn5c(=O)ccnc5c4)CC3)ccc2c1=O
InChIInChI=1S/C23H24N6O3/c1-2-28-22(31)18-4-3-16(13-19(18)25-23(28)32)15-26-9-11-27(12-10-26)17-6-8-29-20(14-17)24-7-5-21(29)30/h3-8,13-14H,2,9-12,15H2,1H3,(H,25,32)
InChIKeyBTVMCJJVCOIIBK-UHFFFAOYSA-N
MW432.48 g/mol
LogP1.04
Rot. Bonds4

About 3-ethyl-7-[[4-(4-oxopyrido[1,2-a]pyrimidin-8-yl)piperazin-1-yl]methyl]-1H-quinazoline-2,4-dione

3-ethyl-7-[[4-(4-oxopyrido[1,2-a]pyrimidin-8-yl)piperazin-1-yl]methyl]-1H-quinazoline-2,4-dione (PubChem CID 169102538) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 3-ethyl-7-[[4-(4-oxopyrido[1,2-a]pyrimidin-8-yl)piperazin-1-yl]methyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-ethyl-7-[[4-(4-oxopyrido[1,2-a]pyrimidin-8-yl)piperazin-1-yl]methyl]-1H-quinazoline-2,4-dione
PubChem CID169102538
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name3-ethyl-7-[[4-(4-oxopyrido[1,2-a]pyrimidin-8-yl)piperazin-1-yl]methyl]-1H-quinazoline-2,4-dione
SMILESCCn1c(=O)[nH]c2cc(CN3CCN(c4ccn5c(=O)ccnc5c4)CC3)ccc2c1=O
InChIInChI=1S/C23H24N6O3/c1-2-28-22(31)18-4-3-16(13-19(18)25-23(28)32)15-26-9-11-27(12-10-26)17-6-8-29-20(14-17)24-7-5-21(29)30/h3-8,13-14H,2,9-12,15H2,1H3,(H,25,32)
InChIKeyBTVMCJJVCOIIBK-UHFFFAOYSA-N
XLogP1.04
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-ethyl-7-[[4-(4-oxopyrido[1,2-a]pyrimidin-8-yl)piperazin-1-yl]methyl]-1H-quinazoline-2,4-dione with MolForge

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Related Compounds

7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-3-ethyl-1H-quinazoline-2,4-dione
CID 168900151
5-[4-[(3-ethyl-2,4-dioxo-1H-quinazolin-7-yl)methyl]piperazin-1-yl]-N,4-dimethyl-1,3-thiazole-2-carboxamide
CID 168900088
5-[4-[(3-ethyl-2,4-dioxo-1H-quinazolin-7-yl)methyl]piperazin-1-yl]-N,6-bis(trideuteriomethyl)pyridine-2-carboxamide
CID 168957380
3-ethyl-7-[[4-[6-(1H-imidazol-2-yl)-2-methyl-3-pyridinyl]piperazin-1-yl]methyl]-4-sulfanylidene-1H-quinazolin-2-one
CID 170981563
5-[(2S)-4-[(3-ethyl-2,4-dioxo-1H-quinazolin-7-yl)methyl]-2-methylpiperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 170981529
5-[4-[(3-ethyl-2,4-dioxo-1H-quinazolin-7-yl)methyl]-3,3-dimethylpiperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 170981022
5-[5-[(3-ethyl-2,4-dioxo-1H-quinazolin-7-yl)methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-N-methylpyridine-2-carboxamide
CID 170981744
5-[(1S,4S)-5-[(3-ethyl-2,4-dioxo-1H-quinazolin-7-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyridine-2-carboxamide
CID 170981512
5-[5-[(3-ethyl-2,4-dioxo-1H-quinazolin-7-yl)methyl]-2,5-diazabicyclo[4.1.0]heptan-2-yl]-N-methylpyridine-2-carboxamide
CID 168900152
7-chloro-3-ethyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione
CID 168900207
3-ethyl-6-[[4-[8-(methylamino)-1,7-naphthyridin-3-yl]piperazin-1-yl]methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 170981645
3-ethyl-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 55958523

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-[[4-(4-oxopyrido[1,2-a]pyrimidin-8-yl)piperazin-1-yl]methyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-ethyl-7-[[4-(4-oxopyrido[1,2-a]pyrimidin-8-yl)piperazin-1-yl]methyl]-1H-quinazoline-2,4-dione (CID 169102538) is 3-ethyl-7-[[4-(4-oxopyrido[1,2-a]pyrimidin-8-yl)piperazin-1-yl]methyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-ethyl-7-[[4-(4-oxopyrido[1,2-a]pyrimidin-8-yl)piperazin-1-yl]methyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-ethyl-7-[[4-(4-oxopyrido[1,2-a]pyrimidin-8-yl)piperazin-1-yl]methyl]-1H-quinazoline-2,4-dione is CCn1c(=O)[nH]c2cc(CN3CCN(c4ccn5c(=O)ccnc5c4)CC3)ccc2c1=O.
What is the InChIKey of 3-ethyl-7-[[4-(4-oxopyrido[1,2-a]pyrimidin-8-yl)piperazin-1-yl]methyl]-1H-quinazoline-2,4-dione?
The InChIKey is BTVMCJJVCOIIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-2-28-22(31)18-4-3-16(13-19(18)25-23(28)32)15-26-9-11-27(12-10-26)17-6-8-29-20(14-17)24-7-5-21(29)30/h3-8,13-14H,2,9-12,15H2,1H3,(H,25,32).
What are the key properties of 3-ethyl-7-[[4-(4-oxopyrido[1,2-a]pyrimidin-8-yl)piperazin-1-yl]methyl]-1H-quinazoline-2,4-dione?
3-ethyl-7-[[4-(4-oxopyrido[1,2-a]pyrimidin-8-yl)piperazin-1-yl]methyl]-1H-quinazoline-2,4-dione has a molecular weight of 432.48 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-[[4-(4-oxopyrido[1,2-a]pyrimidin-8-yl)piperazin-1-yl]methyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 169102538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).