2-cyclohexyl-5,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one

C20H28N2O5 — CID 178046227

IUPAC2-cyclohexyl-5,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one
SMILESCOCCOc1cc(OCCOC)c2c(=O)[nH]c(C3CCCCC3)nc2c1
InChIInChI=1S/C20H28N2O5/c1-24-8-10-26-15-12-16-18(17(13-15)27-11-9-25-2)20(23)22-19(21-16)14-6-4-3-5-7-14/h12-14H,3-11H2,1-2H3,(H,21,22,23)
InChIKeyQWBRZXZYQUYVLE-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.02
Rot. Bonds9

About 2-cyclohexyl-5,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one

2-cyclohexyl-5,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one (PubChem CID 178046227) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is 2-cyclohexyl-5,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-cyclohexyl-5,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one
PubChem CID178046227
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Name2-cyclohexyl-5,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one
SMILESCOCCOc1cc(OCCOC)c2c(=O)[nH]c(C3CCCCC3)nc2c1
InChIInChI=1S/C20H28N2O5/c1-24-8-10-26-15-12-16-18(17(13-15)27-11-9-25-2)20(23)22-19(21-16)14-6-4-3-5-7-14/h12-14H,3-11H2,1-2H3,(H,21,22,23)
InChIKeyQWBRZXZYQUYVLE-UHFFFAOYSA-N
XLogP3.02
TPSA82.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one?
The IUPAC name of 2-cyclohexyl-5,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one (CID 178046227) is 2-cyclohexyl-5,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one.
What is the SMILES notation for 2-cyclohexyl-5,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one?
The canonical SMILES for 2-cyclohexyl-5,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one is COCCOc1cc(OCCOC)c2c(=O)[nH]c(C3CCCCC3)nc2c1.
What is the InChIKey of 2-cyclohexyl-5,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one?
The InChIKey is QWBRZXZYQUYVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-24-8-10-26-15-12-16-18(17(13-15)27-11-9-25-2)20(23)22-19(21-16)14-6-4-3-5-7-14/h12-14H,3-11H2,1-2H3,(H,21,22,23).
What are the key properties of 2-cyclohexyl-5,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one?
2-cyclohexyl-5,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one has a molecular weight of 376.45 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one is sourced from PubChem (CID 178046227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).