(2S)-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one

C21H20N2O4 — CID 1212587

IUPAC(2S)-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
SMILESCCOc1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)ccc1O
InChIInChI=1S/C21H20N2O4/c1-2-26-19-12-14(9-10-18(19)24)20-22-17-8-4-3-7-16(17)21(25)23(20)13-15-6-5-11-27-15/h3-12,20,22,24H,2,13H2,1H3/t20-/m0/s1
InChIKeyYHIHEJKCWJUHGA-FQEVSTJZSA-N
MW364.40 g/mol
LogP4.15
Rot. Bonds5

About (2S)-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one

(2S)-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one (PubChem CID 1212587) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is (2S)-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
PubChem CID1212587
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name(2S)-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
SMILESCCOc1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)ccc1O
InChIInChI=1S/C21H20N2O4/c1-2-26-19-12-14(9-10-18(19)24)20-22-17-8-4-3-7-16(17)21(25)23(20)13-15-6-5-11-27-15/h3-12,20,22,24H,2,13H2,1H3/t20-/m0/s1
InChIKeyYHIHEJKCWJUHGA-FQEVSTJZSA-N
XLogP4.15
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-ethoxyethoxy)-3-methoxyphenyl]-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 54777616
(2R)-3-(furan-2-ylmethyl)-2-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 41119695
3-(furan-2-ylmethyl)-2-[4-(2-phenoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54780073
3-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 54777720
(2S)-3-[(2S)-butan-2-yl]-2-(3-ethoxy-4-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008003
2-(3-ethoxy-4-hydroxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 658545
(2R)-2-[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 2269761
(2S)-2-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 1011888
(4E,5S)-5-(3-ethoxy-4-hydroxyphenyl)-1-(furan-2-ylmethyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
CID 98317884
(2R)-2-(4-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 743586
2-(3-ethoxy-4-hydroxyphenyl)-3-[1-(2-hydroxyphenyl)ethylideneamino]-1,2-dihydroquinazolin-4-one
CID 2900984
2-[3-[(2,6-dimethylphenyl)sulfanylmethyl]-4-methoxyphenyl]-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 50897794

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one (CID 1212587) is (2S)-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one is CCOc1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)ccc1O.
What is the InChIKey of (2S)-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is YHIHEJKCWJUHGA-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-2-26-19-12-14(9-10-18(19)24)20-22-17-8-4-3-7-16(17)21(25)23(20)13-15-6-5-11-27-15/h3-12,20,22,24H,2,13H2,1H3/t20-/m0/s1.
What are the key properties of (2S)-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one?
(2S)-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 364.40 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-ethoxy-4-hydroxyphenyl)-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 1212587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).