9-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-4-methoxy-6,9-dihydro-5H-furo[3,4-g]quinazolin-8-one

C19H18N2O6 — CID 159674428

IUPAC9-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-4-methoxy-6,9-dihydro-5H-furo[3,4-g]quinazolin-8-one
SMILESCOc1cc(C2C3=C(COC3=O)Cc3c(OC)nc(CO)nc32)ccc1O
InChIInChI=1S/C19H18N2O6/c1-25-13-6-9(3-4-12(13)23)15-16-10(8-27-19(16)24)5-11-17(15)20-14(7-22)21-18(11)26-2/h3-4,6,15,22-23H,5,7-8H2,1-2H3
InChIKeyNQHFCJUPIGOKRG-UHFFFAOYSA-N
MW370.36 g/mol
LogP1.23
Rot. Bonds4

About 9-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-4-methoxy-6,9-dihydro-5H-furo[3,4-g]quinazolin-8-one

9-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-4-methoxy-6,9-dihydro-5H-furo[3,4-g]quinazolin-8-one (PubChem CID 159674428) has the molecular formula C19H18N2O6 and a molecular weight of 370.36 g/mol. Its IUPAC name is 9-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-4-methoxy-6,9-dihydro-5H-furo[3,4-g]quinazolin-8-one.

Molecular Properties

Compound Name9-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-4-methoxy-6,9-dihydro-5H-furo[3,4-g]quinazolin-8-one
PubChem CID159674428
Molecular FormulaC19H18N2O6
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name9-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-4-methoxy-6,9-dihydro-5H-furo[3,4-g]quinazolin-8-one
SMILESCOc1cc(C2C3=C(COC3=O)Cc3c(OC)nc(CO)nc32)ccc1O
InChIInChI=1S/C19H18N2O6/c1-25-13-6-9(3-4-12(13)23)15-16-10(8-27-19(16)24)5-11-17(15)20-14(7-22)21-18(11)26-2/h3-4,6,15,22-23H,5,7-8H2,1-2H3
InChIKeyNQHFCJUPIGOKRG-UHFFFAOYSA-N
XLogP1.23
TPSA111.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 9-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-4-methoxy-6,9-dihydro-5H-furo[3,4-g]quinazolin-8-one with MolForge

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Related Compounds

12-amino-8-(4-hydroxy-3-methoxyphenyl)-5-oxa-2,11,13-triazatricyclo[7.4.0.03,7]trideca-1(9),3(7),12-triene-6,10-dione
CID 135524242
5,6,7-tris(hydroxymethyl)-4-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]-4,9-dihydro-1H-benzo[f][2]benzofuran-3-one
CID 159820678
(3aS,6aS)-1,4-bis(4-hydroxy-3-methoxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione
CID 101432518
[2,6-dimethoxy-4-[(5R)-6-oxo-8,9-dihydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]phenyl] benzoate
CID 166834491
2,5-bis(4-hydroxy-3-methoxyphenyl)cyclopentan-1-one
CID 100938571
3-(4-hydroxy-3-methoxyphenyl)oxirane-2-carboxylic acid
CID 131832014
(4S)-4-(4-hydroxy-3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 129373304
(4R)-4-(4-hydroxy-3-methoxyphenyl)-1-(3-methylphenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 7426289
(4R)-4-(4-hydroxy-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184949
(3S,3aS,6S,6aR)-3-(3,4-dihydroxyphenyl)-6-(4-hydroxy-3-methoxyphenyl)-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]furan-4-one
CID 162994857
2-methoxy-4-(1,1,3,3-tetraoxo-1,3-dithian-5-yl)phenol
CID 676994
2-methoxy-4-(oxolan-2-yl)phenol
CID 70616633

Frequently Asked Questions

What is the IUPAC name of 9-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-4-methoxy-6,9-dihydro-5H-furo[3,4-g]quinazolin-8-one?
The IUPAC name of 9-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-4-methoxy-6,9-dihydro-5H-furo[3,4-g]quinazolin-8-one (CID 159674428) is 9-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-4-methoxy-6,9-dihydro-5H-furo[3,4-g]quinazolin-8-one.
What is the SMILES notation for 9-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-4-methoxy-6,9-dihydro-5H-furo[3,4-g]quinazolin-8-one?
The canonical SMILES for 9-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-4-methoxy-6,9-dihydro-5H-furo[3,4-g]quinazolin-8-one is COc1cc(C2C3=C(COC3=O)Cc3c(OC)nc(CO)nc32)ccc1O.
What is the InChIKey of 9-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-4-methoxy-6,9-dihydro-5H-furo[3,4-g]quinazolin-8-one?
The InChIKey is NQHFCJUPIGOKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O6/c1-25-13-6-9(3-4-12(13)23)15-16-10(8-27-19(16)24)5-11-17(15)20-14(7-22)21-18(11)26-2/h3-4,6,15,22-23H,5,7-8H2,1-2H3.
What are the key properties of 9-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-4-methoxy-6,9-dihydro-5H-furo[3,4-g]quinazolin-8-one?
9-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-4-methoxy-6,9-dihydro-5H-furo[3,4-g]quinazolin-8-one has a molecular weight of 370.36 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-4-methoxy-6,9-dihydro-5H-furo[3,4-g]quinazolin-8-one is sourced from PubChem (CID 159674428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).