2-(2-butoxyethoxymethyl)-3-(2-methoxyphenyl)quinazolin-4-one

C22H26N2O4 — CID 10429989

IUPAC2-(2-butoxyethoxymethyl)-3-(2-methoxyphenyl)quinazolin-4-one
SMILESCCCCOCCOCc1nc2ccccc2c(=O)n1-c1ccccc1OC
InChIInChI=1S/C22H26N2O4/c1-3-4-13-27-14-15-28-16-21-23-18-10-6-5-9-17(18)22(25)24(21)19-11-7-8-12-20(19)26-2/h5-12H,3-4,13-16H2,1-2H3
InChIKeyUVMGEWMWTIYVGW-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.73
Rot. Bonds10

About 2-(2-butoxyethoxymethyl)-3-(2-methoxyphenyl)quinazolin-4-one

2-(2-butoxyethoxymethyl)-3-(2-methoxyphenyl)quinazolin-4-one (PubChem CID 10429989) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-(2-butoxyethoxymethyl)-3-(2-methoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-(2-butoxyethoxymethyl)-3-(2-methoxyphenyl)quinazolin-4-one
PubChem CID10429989
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name2-(2-butoxyethoxymethyl)-3-(2-methoxyphenyl)quinazolin-4-one
SMILESCCCCOCCOCc1nc2ccccc2c(=O)n1-c1ccccc1OC
InChIInChI=1S/C22H26N2O4/c1-3-4-13-27-14-15-28-16-21-23-18-10-6-5-9-17(18)22(25)24(21)19-11-7-8-12-20(19)26-2/h5-12H,3-4,13-16H2,1-2H3
InChIKeyUVMGEWMWTIYVGW-UHFFFAOYSA-N
XLogP3.73
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S)-1-(butylamino)ethyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 7236674
2-[4-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]isoindole-1,3-dione
CID 143618036
3-(2-butoxyphenyl)-2-(piperazin-1-ylmethyl)quinazolin-4-one
CID 178045110
[(1S)-1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium
CID 7231317
2-[(1S)-1-(ethylamino)ethyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 769883
2-ethyl-3-(2-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-one
CID 101460145
N-ethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]heptanamide
CID 42720914
N-butyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide
CID 42720989
N-hexyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]dodecanamide
CID 42657642
2-butyl-3-[2-(methylamino)phenyl]quinazolin-4-one
CID 71072745
3-(2-methoxyphenyl)-2-[1-(4-pentanoylpiperazin-1-yl)ethyl]quinazolin-4-one
CID 58710167
3-(2-methoxyphenyl)-2-[(E)-(2-oxo-1-propylindol-3-ylidene)methyl]quinazolin-4-one
CID 39861690

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethoxymethyl)-3-(2-methoxyphenyl)quinazolin-4-one?
The IUPAC name of 2-(2-butoxyethoxymethyl)-3-(2-methoxyphenyl)quinazolin-4-one (CID 10429989) is 2-(2-butoxyethoxymethyl)-3-(2-methoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 2-(2-butoxyethoxymethyl)-3-(2-methoxyphenyl)quinazolin-4-one?
The canonical SMILES for 2-(2-butoxyethoxymethyl)-3-(2-methoxyphenyl)quinazolin-4-one is CCCCOCCOCc1nc2ccccc2c(=O)n1-c1ccccc1OC.
What is the InChIKey of 2-(2-butoxyethoxymethyl)-3-(2-methoxyphenyl)quinazolin-4-one?
The InChIKey is UVMGEWMWTIYVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-3-4-13-27-14-15-28-16-21-23-18-10-6-5-9-17(18)22(25)24(21)19-11-7-8-12-20(19)26-2/h5-12H,3-4,13-16H2,1-2H3.
What are the key properties of 2-(2-butoxyethoxymethyl)-3-(2-methoxyphenyl)quinazolin-4-one?
2-(2-butoxyethoxymethyl)-3-(2-methoxyphenyl)quinazolin-4-one has a molecular weight of 382.46 g/mol, XLogP of 3.73, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethoxymethyl)-3-(2-methoxyphenyl)quinazolin-4-one is sourced from PubChem (CID 10429989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).