4-(3-ethoxy-4-hydroxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione

C16H18N2O4 — CID 23968011

IUPAC4-(3-ethoxy-4-hydroxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
SMILESCCOc1cc(C2NC(=O)NC3=C2C(=O)CCC3)ccc1O
InChIInChI=1S/C16H18N2O4/c1-2-22-13-8-9(6-7-11(13)19)15-14-10(17-16(21)18-15)4-3-5-12(14)20/h6-8,15,19H,2-5H2,1H3,(H2,17,18,21)
InChIKeyNBSDGWGVQPNVID-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.15
Rot. Bonds3

About 4-(3-ethoxy-4-hydroxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione

4-(3-ethoxy-4-hydroxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione (PubChem CID 23968011) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-(3-ethoxy-4-hydroxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione.

Molecular Properties

Compound Name4-(3-ethoxy-4-hydroxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
PubChem CID23968011
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name4-(3-ethoxy-4-hydroxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
SMILESCCOc1cc(C2NC(=O)NC3=C2C(=O)CCC3)ccc1O
InChIInChI=1S/C16H18N2O4/c1-2-22-13-8-9(6-7-11(13)19)15-14-10(17-16(21)18-15)4-3-5-12(14)20/h6-8,15,19H,2-5H2,1H3,(H2,17,18,21)
InChIKeyNBSDGWGVQPNVID-UHFFFAOYSA-N
XLogP2.15
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(3-ethoxy-4-hydroxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione with MolForge

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Related Compounds

propyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 2848500
[(2S)-oxolan-2-yl]methyl (4R)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1113338
(12S)-12-(3-ethoxy-4-hydroxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one
CID 7419120
(4S)-4-(4-ethylphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
CID 756989
benzyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 2848200
(5R)-5-(3-ethoxy-4-hydroxyphenyl)-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one
CID 1105732
(8R)-8-(3-ethoxy-4-hydroxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
CID 2052566
cycloheptyl (4R)-4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1238586
(4R)-4-(4-chlorophenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
CID 7590851
propyl 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 3131461
(4S)-4-(3,4-diethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7413516
(4S)-4-(3-ethoxy-4-hydroxyphenyl)imidazolidin-2-one
CID 131349347

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxy-4-hydroxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione?
The IUPAC name of 4-(3-ethoxy-4-hydroxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione (CID 23968011) is 4-(3-ethoxy-4-hydroxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione.
What is the SMILES notation for 4-(3-ethoxy-4-hydroxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione?
The canonical SMILES for 4-(3-ethoxy-4-hydroxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione is CCOc1cc(C2NC(=O)NC3=C2C(=O)CCC3)ccc1O.
What is the InChIKey of 4-(3-ethoxy-4-hydroxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione?
The InChIKey is NBSDGWGVQPNVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-2-22-13-8-9(6-7-11(13)19)15-14-10(17-16(21)18-15)4-3-5-12(14)20/h6-8,15,19H,2-5H2,1H3,(H2,17,18,21).
What are the key properties of 4-(3-ethoxy-4-hydroxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione?
4-(3-ethoxy-4-hydroxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione has a molecular weight of 302.33 g/mol, XLogP of 2.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxy-4-hydroxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione is sourced from PubChem (CID 23968011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).