2-[(E)-2-(furan-2-yl)ethenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one

C17H18N2O3 — CID 47075581

IUPAC2-[(E)-2-(furan-2-yl)ethenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
SMILESCOCCN1C(=O)c2ccccc2NC1/C=C/c1ccco1
InChIInChI=1S/C17H18N2O3/c1-21-12-10-19-16(9-8-13-5-4-11-22-13)18-15-7-3-2-6-14(15)17(19)20/h2-9,11,16,18H,10,12H2,1H3/b9-8+
InChIKeyTVKUUYRMYVVIMX-CMDGGOBGSA-N
MW298.34 g/mol
LogP2.83
Rot. Bonds5

About 2-[(E)-2-(furan-2-yl)ethenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one

2-[(E)-2-(furan-2-yl)ethenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one (PubChem CID 47075581) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[(E)-2-(furan-2-yl)ethenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-[(E)-2-(furan-2-yl)ethenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
PubChem CID47075581
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name2-[(E)-2-(furan-2-yl)ethenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
SMILESCOCCN1C(=O)c2ccccc2NC1/C=C/c1ccco1
InChIInChI=1S/C17H18N2O3/c1-21-12-10-19-16(9-8-13-5-4-11-22-13)18-15-7-3-2-6-14(15)17(19)20/h2-9,11,16,18H,10,12H2,1H3/b9-8+
InChIKeyTVKUUYRMYVVIMX-CMDGGOBGSA-N
XLogP2.83
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-Dihydro-2-(4-methoxyphenyl)-4(3H)-quinazolinone
CID 484118
2-(3-(Benzyloxy)phenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 300572
2-(2-ethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 292560
3-[2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl]-2,4(1H,3H)-quinazolinedione
CID 122065
2,2-diethyl-3-(4-methoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 703596
(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 1911770
3-(4-Ethoxyphenyl)-2-ethyl-2-methyl-1,2,3-trihydroquinazolin-4-one
CID 4423590
N-[4-[[5-[3-(furan-2-ylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide
CID 661788
3-(2-Furanylmethyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 2928530
2-amino-N-(furan-2-ylmethyl)benzamide
CID 841269
3-[1-{2-[(2-cyclohex-1-en-1-ylethyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]-N-(2-furylmethyl)propanamide
CID 3242228
3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-1H-quinazoline-2,4-dione
CID 44298664

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(furan-2-yl)ethenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-[(E)-2-(furan-2-yl)ethenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one (CID 47075581) is 2-[(E)-2-(furan-2-yl)ethenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-[(E)-2-(furan-2-yl)ethenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-[(E)-2-(furan-2-yl)ethenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one is COCCN1C(=O)c2ccccc2NC1/C=C/c1ccco1.
What is the InChIKey of 2-[(E)-2-(furan-2-yl)ethenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is TVKUUYRMYVVIMX-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-21-12-10-19-16(9-8-13-5-4-11-22-13)18-15-7-3-2-6-14(15)17(19)20/h2-9,11,16,18H,10,12H2,1H3/b9-8+.
What are the key properties of 2-[(E)-2-(furan-2-yl)ethenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one?
2-[(E)-2-(furan-2-yl)ethenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 298.34 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(furan-2-yl)ethenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 47075581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).