3-(furan-2-ylmethyl)-2-[2-(2-phenoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one

C27H24N2O4 — CID 54780320

IUPAC3-(furan-2-ylmethyl)-2-[2-(2-phenoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccccc2OCCOc2ccccc2)N1Cc1ccco1
InChIInChI=1S/C27H24N2O4/c30-27-22-12-4-6-14-24(22)28-26(29(27)19-21-11-8-16-31-21)23-13-5-7-15-25(23)33-18-17-32-20-9-2-1-3-10-20/h1-16,26,28H,17-19H2
InChIKeyHTAPRFYJSHYJDX-UHFFFAOYSA-N
MW440.50 g/mol
LogP5.50
Rot. Bonds8

About 3-(furan-2-ylmethyl)-2-[2-(2-phenoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one

3-(furan-2-ylmethyl)-2-[2-(2-phenoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one (PubChem CID 54780320) has the molecular formula C27H24N2O4 and a molecular weight of 440.50 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-2-[2-(2-phenoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-2-[2-(2-phenoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one
PubChem CID54780320
Molecular FormulaC27H24N2O4
Molecular Weight440.50 g/mol
Exact Mass440.17
IUPAC Name3-(furan-2-ylmethyl)-2-[2-(2-phenoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccccc2OCCOc2ccccc2)N1Cc1ccco1
InChIInChI=1S/C27H24N2O4/c30-27-22-12-4-6-14-24(22)28-26(29(27)19-21-11-8-16-31-21)23-13-5-7-15-25(23)33-18-17-32-20-9-2-1-3-10-20/h1-16,26,28H,17-19H2
InChIKeyHTAPRFYJSHYJDX-UHFFFAOYSA-N
XLogP5.50
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.50
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-(furan-2-ylmethyl)-2-(2-phenylmethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 25408634
3-(furan-2-ylmethyl)-2-[4-(2-phenoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54780073
3-benzyl-2-[2-(2-phenoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54780305
(2S)-2-(2-fluorophenyl)-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 950967
2-[4-(2-ethoxyethoxy)-3-methoxyphenyl]-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 54777616
3-(furan-2-ylmethyl)-2-methyl-2-[2-(2-phenoxyethoxy)phenyl]-1H-quinazolin-4-one
CID 54780836
(2S)-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 1212587
2-(2-butoxyphenyl)-3-butyl-1,2-dihydroquinazolin-4-one
CID 54778916
3-ethyl-2-(2-pentoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778020
3-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 54777720
(2S)-3-(furan-2-ylmethyl)-2-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1,2-dihydroquinazolin-4-one
CID 124726061
3-(furan-2-ylmethyl)-2-[2-(2-methylprop-2-enoxy)naphthalen-1-yl]-1,2-dihydroquinazolin-4-one
CID 54780189

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-2-[2-(2-phenoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-(furan-2-ylmethyl)-2-[2-(2-phenoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one (CID 54780320) is 3-(furan-2-ylmethyl)-2-[2-(2-phenoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-(furan-2-ylmethyl)-2-[2-(2-phenoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-(furan-2-ylmethyl)-2-[2-(2-phenoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2NC(c2ccccc2OCCOc2ccccc2)N1Cc1ccco1.
What is the InChIKey of 3-(furan-2-ylmethyl)-2-[2-(2-phenoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one?
The InChIKey is HTAPRFYJSHYJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O4/c30-27-22-12-4-6-14-24(22)28-26(29(27)19-21-11-8-16-31-21)23-13-5-7-15-25(23)33-18-17-32-20-9-2-1-3-10-20/h1-16,26,28H,17-19H2.
What are the key properties of 3-(furan-2-ylmethyl)-2-[2-(2-phenoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one?
3-(furan-2-ylmethyl)-2-[2-(2-phenoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one has a molecular weight of 440.50 g/mol, XLogP of 5.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-2-[2-(2-phenoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 54780320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).