6,7,8-trimethoxy-3-[(4-methoxypiperidin-4-yl)methyl]quinazolin-4-one

C18H25N3O5 — CID 171909580

IUPAC6,7,8-trimethoxy-3-[(4-methoxypiperidin-4-yl)methyl]quinazolin-4-one
SMILESCOc1cc2c(=O)n(CC3(OC)CCNCC3)cnc2c(OC)c1OC
InChIInChI=1S/C18H25N3O5/c1-23-13-9-12-14(16(25-3)15(13)24-2)20-11-21(17(12)22)10-18(26-4)5-7-19-8-6-18/h9,11,19H,5-8,10H2,1-4H3
InChIKeyOYROHAGPXHOZER-UHFFFAOYSA-N
MW363.41 g/mol
LogP1.19
Rot. Bonds6

About 6,7,8-trimethoxy-3-[(4-methoxypiperidin-4-yl)methyl]quinazolin-4-one

6,7,8-trimethoxy-3-[(4-methoxypiperidin-4-yl)methyl]quinazolin-4-one (PubChem CID 171909580) has the molecular formula C18H25N3O5 and a molecular weight of 363.41 g/mol. Its IUPAC name is 6,7,8-trimethoxy-3-[(4-methoxypiperidin-4-yl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name6,7,8-trimethoxy-3-[(4-methoxypiperidin-4-yl)methyl]quinazolin-4-one
PubChem CID171909580
Molecular FormulaC18H25N3O5
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Name6,7,8-trimethoxy-3-[(4-methoxypiperidin-4-yl)methyl]quinazolin-4-one
SMILESCOc1cc2c(=O)n(CC3(OC)CCNCC3)cnc2c(OC)c1OC
InChIInChI=1S/C18H25N3O5/c1-23-13-9-12-14(16(25-3)15(13)24-2)20-11-21(17(12)22)10-18(26-4)5-7-19-8-6-18/h9,11,19H,5-8,10H2,1-4H3
InChIKeyOYROHAGPXHOZER-UHFFFAOYSA-N
XLogP1.19
TPSA83.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6,7,8-trimethoxy-3-[[1-(2-methylpropyl)cyclobutyl]methyl]quinazolin-4-one
CID 171914116
3-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6,7,8-trimethoxyquinazolin-4-one
CID 171914740
6,7,8-trimethoxy-3-(oxan-4-ylmethyl)quinazolin-4-one
CID 171389522
3-(4-aminobutyl)-6,7,8-trimethoxyquinazolin-4-one
CID 171910792
3-(cyclohexen-1-ylmethyl)-6,7,8-trimethoxyquinazolin-4-one
CID 171916483
6,7,8-trimethoxy-3-[(5-methylthiophen-2-yl)methyl]quinazolin-4-one
CID 171386238
3-[2-(4-hydroxyphenyl)ethyl]-6,7,8-trimethoxyquinazolin-4-one
CID 171913415
3-[3-(1H-imidazol-2-yl)propyl]-6,7,8-trimethoxyquinazolin-4-one
CID 171912180
3-[2-(1-ethylpiperidin-4-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-one
CID 171388425
3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6,7,8-trimethoxyquinazolin-4-one
CID 171913094
3-(3-imidazol-1-ylpropyl)-6,7,8-trimethoxyquinazolin-4-one
CID 171388321
6,7,8-trimethoxy-3-(2-pyridin-3-ylethyl)quinazolin-4-one
CID 171916232

Frequently Asked Questions

What is the IUPAC name of 6,7,8-trimethoxy-3-[(4-methoxypiperidin-4-yl)methyl]quinazolin-4-one?
The IUPAC name of 6,7,8-trimethoxy-3-[(4-methoxypiperidin-4-yl)methyl]quinazolin-4-one (CID 171909580) is 6,7,8-trimethoxy-3-[(4-methoxypiperidin-4-yl)methyl]quinazolin-4-one.
What is the SMILES notation for 6,7,8-trimethoxy-3-[(4-methoxypiperidin-4-yl)methyl]quinazolin-4-one?
The canonical SMILES for 6,7,8-trimethoxy-3-[(4-methoxypiperidin-4-yl)methyl]quinazolin-4-one is COc1cc2c(=O)n(CC3(OC)CCNCC3)cnc2c(OC)c1OC.
What is the InChIKey of 6,7,8-trimethoxy-3-[(4-methoxypiperidin-4-yl)methyl]quinazolin-4-one?
The InChIKey is OYROHAGPXHOZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5/c1-23-13-9-12-14(16(25-3)15(13)24-2)20-11-21(17(12)22)10-18(26-4)5-7-19-8-6-18/h9,11,19H,5-8,10H2,1-4H3.
What are the key properties of 6,7,8-trimethoxy-3-[(4-methoxypiperidin-4-yl)methyl]quinazolin-4-one?
6,7,8-trimethoxy-3-[(4-methoxypiperidin-4-yl)methyl]quinazolin-4-one has a molecular weight of 363.41 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8-trimethoxy-3-[(4-methoxypiperidin-4-yl)methyl]quinazolin-4-one is sourced from PubChem (CID 171909580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).