3-(3-imidazol-1-ylpropyl)-6,7,8-trimethoxyquinazolin-4-one

C17H20N4O4 — CID 171388321

IUPAC3-(3-imidazol-1-ylpropyl)-6,7,8-trimethoxyquinazolin-4-one
SMILESCOc1cc2c(=O)n(CCCn3ccnc3)cnc2c(OC)c1OC
InChIInChI=1S/C17H20N4O4/c1-23-13-9-12-14(16(25-3)15(13)24-2)19-11-21(17(12)22)7-4-6-20-8-5-18-10-20/h5,8-11H,4,6-7H2,1-3H3
InChIKeyPYNYXXBMSINZCL-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.71
Rot. Bonds7

About 3-(3-imidazol-1-ylpropyl)-6,7,8-trimethoxyquinazolin-4-one

3-(3-imidazol-1-ylpropyl)-6,7,8-trimethoxyquinazolin-4-one (PubChem CID 171388321) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 3-(3-imidazol-1-ylpropyl)-6,7,8-trimethoxyquinazolin-4-one.

Molecular Properties

Compound Name3-(3-imidazol-1-ylpropyl)-6,7,8-trimethoxyquinazolin-4-one
PubChem CID171388321
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name3-(3-imidazol-1-ylpropyl)-6,7,8-trimethoxyquinazolin-4-one
SMILESCOc1cc2c(=O)n(CCCn3ccnc3)cnc2c(OC)c1OC
InChIInChI=1S/C17H20N4O4/c1-23-13-9-12-14(16(25-3)15(13)24-2)19-11-21(17(12)22)7-4-6-20-8-5-18-10-20/h5,8-11H,4,6-7H2,1-3H3
InChIKeyPYNYXXBMSINZCL-UHFFFAOYSA-N
XLogP1.71
TPSA80.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-(3-imidazol-1-ylpropyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-one
CID 4252942
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
6,7,8-trimethoxy-3-(2-pyridin-3-ylethyl)quinazolin-4-one
CID 171916232
3-[2-(4-hydroxyphenyl)ethyl]-6,7,8-trimethoxyquinazolin-4-one
CID 171913415
3-(3-imidazol-1-ylpropyl)-7-methoxy-5H-pyrimido[5,4-b]indol-4-one
CID 932398
3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6,7,8-trimethoxyquinazolin-4-one
CID 171910845
6-chloro-3-(3-imidazol-1-ylpropyl)-5-iodopyrimidin-4-one
CID 114584039
6,7,8-trimethoxy-3-[(5-methylthiophen-2-yl)methyl]quinazolin-4-one
CID 171386238
N-(3-imidazol-1-ylpropyl)-3,4,5-trimethoxyaniline
CID 61494818
6,7,8-trimethoxy-3-(oxan-4-ylmethyl)quinazolin-4-one
CID 171389522
3-(4-chlorobutyl)-6,7-dimethoxyquinazolin-4-one
CID 22326633

Frequently Asked Questions

What is the IUPAC name of 3-(3-imidazol-1-ylpropyl)-6,7,8-trimethoxyquinazolin-4-one?
The IUPAC name of 3-(3-imidazol-1-ylpropyl)-6,7,8-trimethoxyquinazolin-4-one (CID 171388321) is 3-(3-imidazol-1-ylpropyl)-6,7,8-trimethoxyquinazolin-4-one.
What is the SMILES notation for 3-(3-imidazol-1-ylpropyl)-6,7,8-trimethoxyquinazolin-4-one?
The canonical SMILES for 3-(3-imidazol-1-ylpropyl)-6,7,8-trimethoxyquinazolin-4-one is COc1cc2c(=O)n(CCCn3ccnc3)cnc2c(OC)c1OC.
What is the InChIKey of 3-(3-imidazol-1-ylpropyl)-6,7,8-trimethoxyquinazolin-4-one?
The InChIKey is PYNYXXBMSINZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-23-13-9-12-14(16(25-3)15(13)24-2)19-11-21(17(12)22)7-4-6-20-8-5-18-10-20/h5,8-11H,4,6-7H2,1-3H3.
What are the key properties of 3-(3-imidazol-1-ylpropyl)-6,7,8-trimethoxyquinazolin-4-one?
3-(3-imidazol-1-ylpropyl)-6,7,8-trimethoxyquinazolin-4-one has a molecular weight of 344.37 g/mol, XLogP of 1.71, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-imidazol-1-ylpropyl)-6,7,8-trimethoxyquinazolin-4-one is sourced from PubChem (CID 171388321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).