3-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6,7,8-trimethoxyquinazolin-4-one

C21H26N4O4 — CID 171914740

IUPAC3-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6,7,8-trimethoxyquinazolin-4-one
SMILESCOc1cc2c(=O)n(CC3(Cn4nc(C)cc4C)CC3)cnc2c(OC)c1OC
InChIInChI=1S/C21H26N4O4/c1-13-8-14(2)25(23-13)11-21(6-7-21)10-24-12-22-17-15(20(24)26)9-16(27-3)18(28-4)19(17)29-5/h8-9,12H,6-7,10-11H2,1-5H3
InChIKeyGOKFFZPGIITHHC-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.72
Rot. Bonds7

About 3-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6,7,8-trimethoxyquinazolin-4-one

3-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6,7,8-trimethoxyquinazolin-4-one (PubChem CID 171914740) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 3-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6,7,8-trimethoxyquinazolin-4-one.

Molecular Properties

Compound Name3-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6,7,8-trimethoxyquinazolin-4-one
PubChem CID171914740
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name3-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6,7,8-trimethoxyquinazolin-4-one
SMILESCOc1cc2c(=O)n(CC3(Cn4nc(C)cc4C)CC3)cnc2c(OC)c1OC
InChIInChI=1S/C21H26N4O4/c1-13-8-14(2)25(23-13)11-21(6-7-21)10-24-12-22-17-15(20(24)26)9-16(27-3)18(28-4)19(17)29-5/h8-9,12H,6-7,10-11H2,1-5H3
InChIKeyGOKFFZPGIITHHC-UHFFFAOYSA-N
XLogP2.72
TPSA80.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6,7,8-trimethoxyquinazolin-4-one with MolForge

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Related Compounds

6,7,8-trimethoxy-3-[[1-(2-methylpropyl)cyclobutyl]methyl]quinazolin-4-one
CID 171914116
6,7,8-trimethoxy-3-[(4-methoxypiperidin-4-yl)methyl]quinazolin-4-one
CID 171909580
6,7,8-trimethoxy-3-(oxan-4-ylmethyl)quinazolin-4-one
CID 171389522
3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6,7,8-trimethoxyquinazolin-4-one
CID 171913094
3-(4-aminobutyl)-6,7,8-trimethoxyquinazolin-4-one
CID 171910792
6,7,8-trimethoxy-3-[(5-methylthiophen-2-yl)methyl]quinazolin-4-one
CID 171386238
3-(cyclohexen-1-ylmethyl)-6,7,8-trimethoxyquinazolin-4-one
CID 171916483
3-[2-(4-hydroxyphenyl)ethyl]-6,7,8-trimethoxyquinazolin-4-one
CID 171913415
3-[2-(1-ethylpiperidin-4-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-one
CID 171388425
3-(3-imidazol-1-ylpropyl)-6,7,8-trimethoxyquinazolin-4-one
CID 171388321
1-[[1-(bromomethyl)cyclopropyl]methyl]-3,5-dimethylpyrazole
CID 65008892
3-[2-(benzotriazol-1-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-one
CID 171385492

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6,7,8-trimethoxyquinazolin-4-one?
The IUPAC name of 3-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6,7,8-trimethoxyquinazolin-4-one (CID 171914740) is 3-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6,7,8-trimethoxyquinazolin-4-one.
What is the SMILES notation for 3-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6,7,8-trimethoxyquinazolin-4-one?
The canonical SMILES for 3-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6,7,8-trimethoxyquinazolin-4-one is COc1cc2c(=O)n(CC3(Cn4nc(C)cc4C)CC3)cnc2c(OC)c1OC.
What is the InChIKey of 3-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6,7,8-trimethoxyquinazolin-4-one?
The InChIKey is GOKFFZPGIITHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-13-8-14(2)25(23-13)11-21(6-7-21)10-24-12-22-17-15(20(24)26)9-16(27-3)18(28-4)19(17)29-5/h8-9,12H,6-7,10-11H2,1-5H3.
What are the key properties of 3-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6,7,8-trimethoxyquinazolin-4-one?
3-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6,7,8-trimethoxyquinazolin-4-one has a molecular weight of 398.46 g/mol, XLogP of 2.72, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6,7,8-trimethoxyquinazolin-4-one is sourced from PubChem (CID 171914740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).