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

C22H26N4O2 — CID 135930616

IUPAC2-[[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methyl]-3H-quinazolin-4-one
SMILESCCOc1ccc(CN2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)cc1
InChIInChI=1S/C22H26N4O2/c1-2-28-18-9-7-17(8-10-18)15-25-11-13-26(14-12-25)16-21-23-20-6-4-3-5-19(20)22(27)24-21/h3-10H,2,11-16H2,1H3,(H,23,24,27)
InChIKeyOQIIQHLXLCJCJN-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.64
Rot. Bonds6

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

2-[[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methyl]-3H-quinazolin-4-one (PubChem CID 135930616) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-[[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methyl]-3H-quinazolin-4-one
PubChem CID135930616
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-[[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methyl]-3H-quinazolin-4-one
SMILESCCOc1ccc(CN2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)cc1
InChIInChI=1S/C22H26N4O2/c1-2-28-18-9-7-17(8-10-18)15-25-11-13-26(14-12-25)16-21-23-20-6-4-3-5-19(20)22(27)24-21/h3-10H,2,11-16H2,1H3,(H,23,24,27)
InChIKeyOQIIQHLXLCJCJN-UHFFFAOYSA-N
XLogP2.64
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-propylpiperazin-1-yl)methyl]-3H-quinazolin-4-one
CID 135802761
2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135612889
2-[[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135775925
2-(piperidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135420435
2-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135429215
2-[[4-[2-(4-propan-2-ylphenoxy)acetyl]piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135956158
2-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 136868764
2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-3H-quinazolin-4-one
CID 135620645
7-chloro-2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135951727
2-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135809530
2-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-3H-quinazolin-4-one
CID 136968778
2-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135877578

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methyl]-3H-quinazolin-4-one (CID 135930616) is 2-[[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methyl]-3H-quinazolin-4-one is CCOc1ccc(CN2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)cc1.
What is the InChIKey of 2-[[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methyl]-3H-quinazolin-4-one?
The InChIKey is OQIIQHLXLCJCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-2-28-18-9-7-17(8-10-18)15-25-11-13-26(14-12-25)16-21-23-20-6-4-3-5-19(20)22(27)24-21/h3-10H,2,11-16H2,1H3,(H,23,24,27).
What are the key properties of 2-[[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methyl]-3H-quinazolin-4-one?
2-[[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methyl]-3H-quinazolin-4-one has a molecular weight of 378.48 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135930616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).