2-(2-butan-2-yloxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one

C21H26N2O3 — CID 54779112

IUPAC2-(2-butan-2-yloxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
SMILESCCC(C)Oc1ccccc1C1Nc2ccccc2C(=O)N1CCOC
InChIInChI=1S/C21H26N2O3/c1-4-15(2)26-19-12-8-6-10-17(19)20-22-18-11-7-5-9-16(18)21(24)23(20)13-14-25-3/h5-12,15,20,22H,4,13-14H2,1-3H3
InChIKeyGUXDKWSIGSNEMM-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.08
Rot. Bonds7

About 2-(2-butan-2-yloxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one

2-(2-butan-2-yloxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one (PubChem CID 54779112) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(2-butan-2-yloxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(2-butan-2-yloxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
PubChem CID54779112
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-(2-butan-2-yloxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
SMILESCCC(C)Oc1ccccc1C1Nc2ccccc2C(=O)N1CCOC
InChIInChI=1S/C21H26N2O3/c1-4-15(2)26-19-12-8-6-10-17(19)20-22-18-11-7-5-9-16(18)21(24)23(20)13-14-25-3/h5-12,15,20,22H,4,13-14H2,1-3H3
InChIKeyGUXDKWSIGSNEMM-UHFFFAOYSA-N
XLogP4.08
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-yloxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(2-butan-2-yloxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one (CID 54779112) is 2-(2-butan-2-yloxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(2-butan-2-yloxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(2-butan-2-yloxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one is CCC(C)Oc1ccccc1C1Nc2ccccc2C(=O)N1CCOC.
What is the InChIKey of 2-(2-butan-2-yloxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is GUXDKWSIGSNEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-4-15(2)26-19-12-8-6-10-17(19)20-22-18-11-7-5-9-16(18)21(24)23(20)13-14-25-3/h5-12,15,20,22H,4,13-14H2,1-3H3.
What are the key properties of 2-(2-butan-2-yloxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one?
2-(2-butan-2-yloxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 354.45 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-yloxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 54779112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).