methanol;3-[(3-methoxyphenyl)methyl]-7-(2-methylpyrazol-3-yl)-1,2-dihydroquinazolin-4-one

C21H24N4O3 — CID 164572325

IUPACmethanol;3-[(3-methoxyphenyl)methyl]-7-(2-methylpyrazol-3-yl)-1,2-dihydroquinazolin-4-one
SMILESCO.COc1cccc(CN2CNc3cc(-c4ccnn4C)ccc3C2=O)c1
InChIInChI=1S/C20H20N4O2.CH4O/c1-23-19(8-9-22-23)15-6-7-17-18(11-15)21-13-24(20(17)25)12-14-4-3-5-16(10-14)26-2;1-2/h3-11,21H,12-13H2,1-2H3;2H,1H3
InChIKeyQFEZGCNRJVGBCL-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.73
Rot. Bonds4

About methanol;3-[(3-methoxyphenyl)methyl]-7-(2-methylpyrazol-3-yl)-1,2-dihydroquinazolin-4-one

methanol;3-[(3-methoxyphenyl)methyl]-7-(2-methylpyrazol-3-yl)-1,2-dihydroquinazolin-4-one (PubChem CID 164572325) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is methanol;3-[(3-methoxyphenyl)methyl]-7-(2-methylpyrazol-3-yl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Namemethanol;3-[(3-methoxyphenyl)methyl]-7-(2-methylpyrazol-3-yl)-1,2-dihydroquinazolin-4-one
PubChem CID164572325
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Namemethanol;3-[(3-methoxyphenyl)methyl]-7-(2-methylpyrazol-3-yl)-1,2-dihydroquinazolin-4-one
SMILESCO.COc1cccc(CN2CNc3cc(-c4ccnn4C)ccc3C2=O)c1
InChIInChI=1S/C20H20N4O2.CH4O/c1-23-19(8-9-22-23)15-6-7-17-18(11-15)21-13-24(20(17)25)12-14-4-3-5-16(10-14)26-2;1-2/h3-11,21H,12-13H2,1-2H3;2H,1H3
InChIKeyQFEZGCNRJVGBCL-UHFFFAOYSA-N
XLogP2.73
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methanol;3-[(3-methoxyphenyl)methyl]-7-(2-methylpyrazol-3-yl)-1,2-dihydroquinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-methoxyphenyl)methyl]-2,3-dihydroimidazo[1,2-b]pyrazole
CID 166379351
7-bromo-4-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-pyrido[2,3-b]pyrazine
CID 53214107
3-[(3-methoxyphenyl)methyl]-1,2,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 10471726
7,18-bis[(3-methoxyphenyl)methyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 20661232
2-[(3-methoxyphenyl)methyl]-6-(2-trimethylsilylethynyl)-3H-isoindol-1-one
CID 162696519
[3-methoxy-5-(2-methylpyrazol-3-yl)phenyl]methanamine
CID 171393046
methyl 5-[(3-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate
CID 1475692
2-[3-(2-methylpyrazol-3-yl)phenyl]ethanol
CID 171393091
(5R)-3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid
CID 115056802
1-[4-(3-fluoro-4-pyridinyl)phenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one
CID 140941584
1-[(3-methoxyphenyl)methyl]-4-(oxolane-3-carbonyl)piperazin-2-one
CID 118771406
1-[(3-methoxyphenyl)methyl]piperazine-2,6-dione
CID 66063818

Frequently Asked Questions

What is the IUPAC name of methanol;3-[(3-methoxyphenyl)methyl]-7-(2-methylpyrazol-3-yl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of methanol;3-[(3-methoxyphenyl)methyl]-7-(2-methylpyrazol-3-yl)-1,2-dihydroquinazolin-4-one (CID 164572325) is methanol;3-[(3-methoxyphenyl)methyl]-7-(2-methylpyrazol-3-yl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for methanol;3-[(3-methoxyphenyl)methyl]-7-(2-methylpyrazol-3-yl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for methanol;3-[(3-methoxyphenyl)methyl]-7-(2-methylpyrazol-3-yl)-1,2-dihydroquinazolin-4-one is CO.COc1cccc(CN2CNc3cc(-c4ccnn4C)ccc3C2=O)c1.
What is the InChIKey of methanol;3-[(3-methoxyphenyl)methyl]-7-(2-methylpyrazol-3-yl)-1,2-dihydroquinazolin-4-one?
The InChIKey is QFEZGCNRJVGBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2.CH4O/c1-23-19(8-9-22-23)15-6-7-17-18(11-15)21-13-24(20(17)25)12-14-4-3-5-16(10-14)26-2;1-2/h3-11,21H,12-13H2,1-2H3;2H,1H3.
What are the key properties of methanol;3-[(3-methoxyphenyl)methyl]-7-(2-methylpyrazol-3-yl)-1,2-dihydroquinazolin-4-one?
methanol;3-[(3-methoxyphenyl)methyl]-7-(2-methylpyrazol-3-yl)-1,2-dihydroquinazolin-4-one has a molecular weight of 380.45 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;3-[(3-methoxyphenyl)methyl]-7-(2-methylpyrazol-3-yl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 164572325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).