6,7,8-trimethoxy-3-(2-pyridin-3-ylethyl)quinazolin-4-one

C18H19N3O4 — CID 171916232

IUPAC6,7,8-trimethoxy-3-(2-pyridin-3-ylethyl)quinazolin-4-one
SMILESCOc1cc2c(=O)n(CCc3cccnc3)cnc2c(OC)c1OC
InChIInChI=1S/C18H19N3O4/c1-23-14-9-13-15(17(25-3)16(14)24-2)20-11-21(18(13)22)8-6-12-5-4-7-19-10-12/h4-5,7,9-11H,6,8H2,1-3H3
InChIKeyQXUXNSVWQCVTSP-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.06
Rot. Bonds6

About 6,7,8-trimethoxy-3-(2-pyridin-3-ylethyl)quinazolin-4-one

6,7,8-trimethoxy-3-(2-pyridin-3-ylethyl)quinazolin-4-one (PubChem CID 171916232) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 6,7,8-trimethoxy-3-(2-pyridin-3-ylethyl)quinazolin-4-one.

Molecular Properties

Compound Name6,7,8-trimethoxy-3-(2-pyridin-3-ylethyl)quinazolin-4-one
PubChem CID171916232
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name6,7,8-trimethoxy-3-(2-pyridin-3-ylethyl)quinazolin-4-one
SMILESCOc1cc2c(=O)n(CCc3cccnc3)cnc2c(OC)c1OC
InChIInChI=1S/C18H19N3O4/c1-23-14-9-13-15(17(25-3)16(14)24-2)20-11-21(18(13)22)8-6-12-5-4-7-19-10-12/h4-5,7,9-11H,6,8H2,1-3H3
InChIKeyQXUXNSVWQCVTSP-UHFFFAOYSA-N
XLogP2.06
TPSA75.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-(4-hydroxyphenyl)ethyl]-6,7,8-trimethoxyquinazolin-4-one
CID 171913415
3-(3-imidazol-1-ylpropyl)-6,7,8-trimethoxyquinazolin-4-one
CID 171388321
3-(4-aminobutyl)-6,7,8-trimethoxyquinazolin-4-one
CID 171910792
3-[3-(1H-imidazol-2-yl)propyl]-6,7,8-trimethoxyquinazolin-4-one
CID 171912180
3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6,7,8-trimethoxyquinazolin-4-one
CID 171910845
3-[2-(benzotriazol-1-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-one
CID 171385492
6,7,8-trimethoxy-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]quinazolin-4-one
CID 171915041
6,7,8-trimethoxy-3-[(5-methylthiophen-2-yl)methyl]quinazolin-4-one
CID 171386238
7-methyl-3-(2-pyridin-3-ylethyl)thieno[3,2-d]pyrimidin-4-one
CID 102685622
6,7,8-trimethoxy-3-(oxan-4-ylmethyl)quinazolin-4-one
CID 171389522
3-[2-(1-ethylpiperidin-4-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-one
CID 171388425
6,7,8-trimethoxy-3-(3-methoxyphenyl)quinazolin-4-one
CID 171906833

Frequently Asked Questions

What is the IUPAC name of 6,7,8-trimethoxy-3-(2-pyridin-3-ylethyl)quinazolin-4-one?
The IUPAC name of 6,7,8-trimethoxy-3-(2-pyridin-3-ylethyl)quinazolin-4-one (CID 171916232) is 6,7,8-trimethoxy-3-(2-pyridin-3-ylethyl)quinazolin-4-one.
What is the SMILES notation for 6,7,8-trimethoxy-3-(2-pyridin-3-ylethyl)quinazolin-4-one?
The canonical SMILES for 6,7,8-trimethoxy-3-(2-pyridin-3-ylethyl)quinazolin-4-one is COc1cc2c(=O)n(CCc3cccnc3)cnc2c(OC)c1OC.
What is the InChIKey of 6,7,8-trimethoxy-3-(2-pyridin-3-ylethyl)quinazolin-4-one?
The InChIKey is QXUXNSVWQCVTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-23-14-9-13-15(17(25-3)16(14)24-2)20-11-21(18(13)22)8-6-12-5-4-7-19-10-12/h4-5,7,9-11H,6,8H2,1-3H3.
What are the key properties of 6,7,8-trimethoxy-3-(2-pyridin-3-ylethyl)quinazolin-4-one?
6,7,8-trimethoxy-3-(2-pyridin-3-ylethyl)quinazolin-4-one has a molecular weight of 341.37 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8-trimethoxy-3-(2-pyridin-3-ylethyl)quinazolin-4-one is sourced from PubChem (CID 171916232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).