3-(2-ethoxyphenyl)-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]quinazolin-4-one

C26H26N4O4 — CID 991507

IUPAC3-(2-ethoxyphenyl)-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]quinazolin-4-one
SMILESCCOc1ccccc1-n1c(CN2CCN(C(=O)c3ccco3)CC2)nc2ccccc2c1=O
InChIInChI=1S/C26H26N4O4/c1-2-33-22-11-6-5-10-21(22)30-24(27-20-9-4-3-8-19(20)25(30)31)18-28-13-15-29(16-14-28)26(32)23-12-7-17-34-23/h3-12,17H,2,13-16,18H2,1H3
InChIKeyLHDOHFGVTGMBDX-UHFFFAOYSA-N
MW458.52 g/mol
LogP3.34
Rot. Bonds6

About 3-(2-ethoxyphenyl)-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]quinazolin-4-one

3-(2-ethoxyphenyl)-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]quinazolin-4-one (PubChem CID 991507) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]quinazolin-4-one
PubChem CID991507
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC Name3-(2-ethoxyphenyl)-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]quinazolin-4-one
SMILESCCOc1ccccc1-n1c(CN2CCN(C(=O)c3ccco3)CC2)nc2ccccc2c1=O
InChIInChI=1S/C26H26N4O4/c1-2-33-22-11-6-5-10-21(22)30-24(27-20-9-4-3-8-19(20)25(30)31)18-28-13-15-29(16-14-28)26(32)23-12-7-17-34-23/h3-12,17H,2,13-16,18H2,1H3
InChIKeyLHDOHFGVTGMBDX-UHFFFAOYSA-N
XLogP3.34
TPSA80.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(2-ethoxyphenyl)-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]quinazolin-4-one with MolForge

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Related Compounds

Erastin
CID 11214940
4(3H)-Quinazolinone, 3-furfuryl-2-methyl-
CID 64027
3-(2-Ethoxyphenyl)-2-(piperazin-1-ylmethyl)quinazolin-4-one
CID 11559627
2-Furan-2-yl-3-phenethyl-3H-quinazolin-4-one
CID 683379
N-(2-methoxyphenyl)-N-[3-methyl-1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
CID 13653738
3-Benzyl-2-(2-furyl)-3,4-dihydro-4-quinazolinone
CID 563918
2-[4-(2-furoyl)piperazin-1-yl]-3-phenylquinazolin-4(3H)-one
CID 3236029
2-[(4-Acetylpiperazin-1-yl)methyl]-3-(2-ethoxyphenyl)quinazolin-4-one
CID 56657947
3-(2-Ethoxyphenyl)-2-[(4-methylpiperazin-1-yl)methyl]quinazolin-4-one
CID 56664909
3-(2-((4-(2-(4-chlorophenoxy)ethanoyl)piperazin-1-yl)methyl)-4-oxoquinazolin-3(4H)-yl)-4-isopropoxybenzaldehyde
CID 72950385
2-[1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]butyl]-3-(furan-2-ylmethyl)quinazolin-4-one
CID 147256078
Ortho-methoxyfuranylfentanyl
CID 13653667

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]quinazolin-4-one?
The IUPAC name of 3-(2-ethoxyphenyl)-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]quinazolin-4-one (CID 991507) is 3-(2-ethoxyphenyl)-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]quinazolin-4-one.
What is the SMILES notation for 3-(2-ethoxyphenyl)-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]quinazolin-4-one?
The canonical SMILES for 3-(2-ethoxyphenyl)-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]quinazolin-4-one is CCOc1ccccc1-n1c(CN2CCN(C(=O)c3ccco3)CC2)nc2ccccc2c1=O.
What is the InChIKey of 3-(2-ethoxyphenyl)-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]quinazolin-4-one?
The InChIKey is LHDOHFGVTGMBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4/c1-2-33-22-11-6-5-10-21(22)30-24(27-20-9-4-3-8-19(20)25(30)31)18-28-13-15-29(16-14-28)26(32)23-12-7-17-34-23/h3-12,17H,2,13-16,18H2,1H3.
What are the key properties of 3-(2-ethoxyphenyl)-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]quinazolin-4-one?
3-(2-ethoxyphenyl)-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]quinazolin-4-one has a molecular weight of 458.52 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]quinazolin-4-one is sourced from PubChem (CID 991507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).