2-(4-butoxyphenyl)-3-(furan-2-ylmethyl)-2-methyl-1H-quinazolin-4-one

C24H26N2O3 — CID 54779726

IUPAC2-(4-butoxyphenyl)-3-(furan-2-ylmethyl)-2-methyl-1H-quinazolin-4-one
SMILESCCCCOc1ccc(C2(C)Nc3ccccc3C(=O)N2Cc2ccco2)cc1
InChIInChI=1S/C24H26N2O3/c1-3-4-15-28-19-13-11-18(12-14-19)24(2)25-22-10-6-5-9-21(22)23(27)26(24)17-20-8-7-16-29-20/h5-14,16,25H,3-4,15,17H2,1-2H3
InChIKeyVFHIRYKKUXAUQM-UHFFFAOYSA-N
MW390.48 g/mol
LogP5.40
Rot. Bonds7

About 2-(4-butoxyphenyl)-3-(furan-2-ylmethyl)-2-methyl-1H-quinazolin-4-one

2-(4-butoxyphenyl)-3-(furan-2-ylmethyl)-2-methyl-1H-quinazolin-4-one (PubChem CID 54779726) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 2-(4-butoxyphenyl)-3-(furan-2-ylmethyl)-2-methyl-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-butoxyphenyl)-3-(furan-2-ylmethyl)-2-methyl-1H-quinazolin-4-one
PubChem CID54779726
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name2-(4-butoxyphenyl)-3-(furan-2-ylmethyl)-2-methyl-1H-quinazolin-4-one
SMILESCCCCOc1ccc(C2(C)Nc3ccccc3C(=O)N2Cc2ccco2)cc1
InChIInChI=1S/C24H26N2O3/c1-3-4-15-28-19-13-11-18(12-14-19)24(2)25-22-10-6-5-9-21(22)23(27)26(24)17-20-8-7-16-29-20/h5-14,16,25H,3-4,15,17H2,1-2H3
InChIKeyVFHIRYKKUXAUQM-UHFFFAOYSA-N
XLogP5.40
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-butoxyphenyl)-3-(furan-2-ylmethyl)-2-methyl-1H-quinazolin-4-one?
The IUPAC name of 2-(4-butoxyphenyl)-3-(furan-2-ylmethyl)-2-methyl-1H-quinazolin-4-one (CID 54779726) is 2-(4-butoxyphenyl)-3-(furan-2-ylmethyl)-2-methyl-1H-quinazolin-4-one.
What is the SMILES notation for 2-(4-butoxyphenyl)-3-(furan-2-ylmethyl)-2-methyl-1H-quinazolin-4-one?
The canonical SMILES for 2-(4-butoxyphenyl)-3-(furan-2-ylmethyl)-2-methyl-1H-quinazolin-4-one is CCCCOc1ccc(C2(C)Nc3ccccc3C(=O)N2Cc2ccco2)cc1.
What is the InChIKey of 2-(4-butoxyphenyl)-3-(furan-2-ylmethyl)-2-methyl-1H-quinazolin-4-one?
The InChIKey is VFHIRYKKUXAUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-3-4-15-28-19-13-11-18(12-14-19)24(2)25-22-10-6-5-9-21(22)23(27)26(24)17-20-8-7-16-29-20/h5-14,16,25H,3-4,15,17H2,1-2H3.
What are the key properties of 2-(4-butoxyphenyl)-3-(furan-2-ylmethyl)-2-methyl-1H-quinazolin-4-one?
2-(4-butoxyphenyl)-3-(furan-2-ylmethyl)-2-methyl-1H-quinazolin-4-one has a molecular weight of 390.48 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyphenyl)-3-(furan-2-ylmethyl)-2-methyl-1H-quinazolin-4-one is sourced from PubChem (CID 54779726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).