3-[3-(1H-imidazol-2-yl)propyl]-6,7,8-trimethoxyquinazolin-4-one

C17H20N4O4 — CID 171912180

IUPAC3-[3-(1H-imidazol-2-yl)propyl]-6,7,8-trimethoxyquinazolin-4-one
SMILESCOc1cc2c(=O)n(CCCc3ncc[nH]3)cnc2c(OC)c1OC
InChIInChI=1S/C17H20N4O4/c1-23-12-9-11-14(16(25-3)15(12)24-2)20-10-21(17(11)22)8-4-5-13-18-6-7-19-13/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19)
InChIKeyBHFKARUZAAFGKF-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.78
Rot. Bonds7

About 3-[3-(1H-imidazol-2-yl)propyl]-6,7,8-trimethoxyquinazolin-4-one

3-[3-(1H-imidazol-2-yl)propyl]-6,7,8-trimethoxyquinazolin-4-one (PubChem CID 171912180) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 3-[3-(1H-imidazol-2-yl)propyl]-6,7,8-trimethoxyquinazolin-4-one.

Molecular Properties

Compound Name3-[3-(1H-imidazol-2-yl)propyl]-6,7,8-trimethoxyquinazolin-4-one
PubChem CID171912180
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name3-[3-(1H-imidazol-2-yl)propyl]-6,7,8-trimethoxyquinazolin-4-one
SMILESCOc1cc2c(=O)n(CCCc3ncc[nH]3)cnc2c(OC)c1OC
InChIInChI=1S/C17H20N4O4/c1-23-12-9-11-14(16(25-3)15(12)24-2)20-10-21(17(11)22)8-4-5-13-18-6-7-19-13/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19)
InChIKeyBHFKARUZAAFGKF-UHFFFAOYSA-N
XLogP1.78
TPSA91.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-aminobutyl)-6,7,8-trimethoxyquinazolin-4-one
CID 171910792
3-(3-imidazol-1-ylpropyl)-6,7,8-trimethoxyquinazolin-4-one
CID 171388321
3-[2-(4-hydroxyphenyl)ethyl]-6,7,8-trimethoxyquinazolin-4-one
CID 171913415
6,7,8-trimethoxy-3-(2-pyridin-3-ylethyl)quinazolin-4-one
CID 171916232
6,7,8-trimethoxy-3-[(5-methylthiophen-2-yl)methyl]quinazolin-4-one
CID 171386238
3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6,7,8-trimethoxyquinazolin-4-one
CID 171910845
6,7,8-trimethoxy-3-[(4-methoxypiperidin-4-yl)methyl]quinazolin-4-one
CID 171909580
3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6,7,8-trimethoxyquinazolin-4-one
CID 171913094
3-(cyclohexen-1-ylmethyl)-6,7,8-trimethoxyquinazolin-4-one
CID 171916483
3-[2-(1-ethylpiperidin-4-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-one
CID 171388425
6,7,8-trimethoxy-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]quinazolin-4-one
CID 171915041
3-[2-(benzotriazol-1-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-one
CID 171385492

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1H-imidazol-2-yl)propyl]-6,7,8-trimethoxyquinazolin-4-one?
The IUPAC name of 3-[3-(1H-imidazol-2-yl)propyl]-6,7,8-trimethoxyquinazolin-4-one (CID 171912180) is 3-[3-(1H-imidazol-2-yl)propyl]-6,7,8-trimethoxyquinazolin-4-one.
What is the SMILES notation for 3-[3-(1H-imidazol-2-yl)propyl]-6,7,8-trimethoxyquinazolin-4-one?
The canonical SMILES for 3-[3-(1H-imidazol-2-yl)propyl]-6,7,8-trimethoxyquinazolin-4-one is COc1cc2c(=O)n(CCCc3ncc[nH]3)cnc2c(OC)c1OC.
What is the InChIKey of 3-[3-(1H-imidazol-2-yl)propyl]-6,7,8-trimethoxyquinazolin-4-one?
The InChIKey is BHFKARUZAAFGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-23-12-9-11-14(16(25-3)15(12)24-2)20-10-21(17(11)22)8-4-5-13-18-6-7-19-13/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19).
What are the key properties of 3-[3-(1H-imidazol-2-yl)propyl]-6,7,8-trimethoxyquinazolin-4-one?
3-[3-(1H-imidazol-2-yl)propyl]-6,7,8-trimethoxyquinazolin-4-one has a molecular weight of 344.37 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1H-imidazol-2-yl)propyl]-6,7,8-trimethoxyquinazolin-4-one is sourced from PubChem (CID 171912180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).