(2R)-2-(3,4-dihydroxy-5-methoxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one

C18H20N2O5 — CID 32608981

IUPAC(2R)-2-(3,4-dihydroxy-5-methoxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
SMILESCOCCN1C(=O)c2ccccc2N[C@H]1c1cc(O)c(O)c(OC)c1
InChIInChI=1S/C18H20N2O5/c1-24-8-7-20-17(11-9-14(21)16(22)15(10-11)25-2)19-13-6-4-3-5-12(13)18(20)23/h3-6,9-10,17,19,21-22H,7-8H2,1-2H3/t17-/m1/s1
InChIKeyFAMVXXJXNFEDOC-QGZVFWFLSA-N
MW344.37 g/mol
LogP2.32
Rot. Bonds5

About (2R)-2-(3,4-dihydroxy-5-methoxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one

(2R)-2-(3,4-dihydroxy-5-methoxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one (PubChem CID 32608981) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is (2R)-2-(3,4-dihydroxy-5-methoxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-2-(3,4-dihydroxy-5-methoxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
PubChem CID32608981
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name(2R)-2-(3,4-dihydroxy-5-methoxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
SMILESCOCCN1C(=O)c2ccccc2N[C@H]1c1cc(O)c(O)c(OC)c1
InChIInChI=1S/C18H20N2O5/c1-24-8-7-20-17(11-9-14(21)16(22)15(10-11)25-2)19-13-6-4-3-5-12(13)18(20)23/h3-6,9-10,17,19,21-22H,7-8H2,1-2H3/t17-/m1/s1
InChIKeyFAMVXXJXNFEDOC-QGZVFWFLSA-N
XLogP2.32
TPSA91.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778763
2-(3,4-dihydroxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 47019340
2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one
CID 46613480
2-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 46515568
(2R)-2-(4-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 743586
(2R)-3-[(2R)-butan-2-yl]-2-(3,4-dihydroxy-5-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008363
3-(2-methoxyethyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 54778783
(2S)-3-propyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 1131631
2-[4-(2-methoxyethoxy)phenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 54778826
3-(2-methoxyethyl)-2-(2-methoxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one
CID 54778743
(2S)-2-(5-bromo-2-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009221
(2S)-2-(2-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009021

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dihydroxy-5-methoxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-2-(3,4-dihydroxy-5-methoxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one (CID 32608981) is (2R)-2-(3,4-dihydroxy-5-methoxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-2-(3,4-dihydroxy-5-methoxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-2-(3,4-dihydroxy-5-methoxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one is COCCN1C(=O)c2ccccc2N[C@H]1c1cc(O)c(O)c(OC)c1.
What is the InChIKey of (2R)-2-(3,4-dihydroxy-5-methoxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is FAMVXXJXNFEDOC-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-24-8-7-20-17(11-9-14(21)16(22)15(10-11)25-2)19-13-6-4-3-5-12(13)18(20)23/h3-6,9-10,17,19,21-22H,7-8H2,1-2H3/t17-/m1/s1.
What are the key properties of (2R)-2-(3,4-dihydroxy-5-methoxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one?
(2R)-2-(3,4-dihydroxy-5-methoxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 344.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dihydroxy-5-methoxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 32608981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).