1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-4-(furan-2-yl)butan-2-one

C24H23N3O3 — CID 164979475

IUPAC1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-4-(furan-2-yl)butan-2-one
SMILESCN(C)c1ccc2c(Oc3ccc(CC(=O)CCc4ccco4)cc3)ncnc2c1
InChIInChI=1S/C24H23N3O3/c1-27(2)18-7-12-22-23(15-18)25-16-26-24(22)30-21-9-5-17(6-10-21)14-19(28)8-11-20-4-3-13-29-20/h3-7,9-10,12-13,15-16H,8,11,14H2,1-2H3
InChIKeyFGQORKKLBKLGEN-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.83
Rot. Bonds8

About 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-4-(furan-2-yl)butan-2-one

1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-4-(furan-2-yl)butan-2-one (PubChem CID 164979475) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-4-(furan-2-yl)butan-2-one.

Molecular Properties

Compound Name1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-4-(furan-2-yl)butan-2-one
PubChem CID164979475
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-4-(furan-2-yl)butan-2-one
SMILESCN(C)c1ccc2c(Oc3ccc(CC(=O)CCc4ccco4)cc3)ncnc2c1
InChIInChI=1S/C24H23N3O3/c1-27(2)18-7-12-22-23(15-18)25-16-26-24(22)30-21-9-5-17(6-10-21)14-19(28)8-11-20-4-3-13-29-20/h3-7,9-10,12-13,15-16H,8,11,14H2,1-2H3
InChIKeyFGQORKKLBKLGEN-UHFFFAOYSA-N
XLogP4.83
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-4-(furan-2-yl)butan-2-one with MolForge

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Related Compounds

N-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 165031012
1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea
CID 155206373
1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(4-fluorophenyl)urea
CID 155206361
1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-1-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea
CID 155206513
1-(4-tert-butylphenyl)-4-(furan-2-yl)butan-2-one
CID 105089444
1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(3-fluorophenyl)urea
CID 155206380
4-(furan-2-yl)-1-(4-iodophenyl)butan-2-one
CID 105103087
1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]urea
CID 155195529
1-[5-[7-(dimethylamino)quinazolin-4-yl]oxyindol-1-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-one
CID 164957876
1-[4-[7-(1-methylpyrazol-3-yl)quinazolin-4-yl]oxyphenyl]-4-[6-(trifluoromethyl)-3-pyridinyl]butan-2-one
CID 165044044
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl chloride
CID 86238128
4-(furan-2-yl)-1-thiophen-3-ylbutan-2-one
CID 61053856

Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-4-(furan-2-yl)butan-2-one?
The IUPAC name of 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-4-(furan-2-yl)butan-2-one (CID 164979475) is 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-4-(furan-2-yl)butan-2-one.
What is the SMILES notation for 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-4-(furan-2-yl)butan-2-one?
The canonical SMILES for 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-4-(furan-2-yl)butan-2-one is CN(C)c1ccc2c(Oc3ccc(CC(=O)CCc4ccco4)cc3)ncnc2c1.
What is the InChIKey of 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-4-(furan-2-yl)butan-2-one?
The InChIKey is FGQORKKLBKLGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-27(2)18-7-12-22-23(15-18)25-16-26-24(22)30-21-9-5-17(6-10-21)14-19(28)8-11-20-4-3-13-29-20/h3-7,9-10,12-13,15-16H,8,11,14H2,1-2H3.
What are the key properties of 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-4-(furan-2-yl)butan-2-one?
1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-4-(furan-2-yl)butan-2-one has a molecular weight of 401.47 g/mol, XLogP of 4.83, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-4-(furan-2-yl)butan-2-one is sourced from PubChem (CID 164979475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).