3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6,7,8-trimethoxyquinazolin-4-one

C20H20N4O4 — CID 171910845

IUPAC3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6,7,8-trimethoxyquinazolin-4-one
SMILESCOc1cc2c(=O)n(CCc3cn4ccccc4n3)cnc2c(OC)c1OC
InChIInChI=1S/C20H20N4O4/c1-26-15-10-14-17(19(28-3)18(15)27-2)21-12-24(20(14)25)9-7-13-11-23-8-5-4-6-16(23)22-13/h4-6,8,10-12H,7,9H2,1-3H3
InChIKeyKJYVRMURSNLMKE-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.31
Rot. Bonds6

About 3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6,7,8-trimethoxyquinazolin-4-one

3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6,7,8-trimethoxyquinazolin-4-one (PubChem CID 171910845) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6,7,8-trimethoxyquinazolin-4-one.

Molecular Properties

Compound Name3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6,7,8-trimethoxyquinazolin-4-one
PubChem CID171910845
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6,7,8-trimethoxyquinazolin-4-one
SMILESCOc1cc2c(=O)n(CCc3cn4ccccc4n3)cnc2c(OC)c1OC
InChIInChI=1S/C20H20N4O4/c1-26-15-10-14-17(19(28-3)18(15)27-2)21-12-24(20(14)25)9-7-13-11-23-8-5-4-6-16(23)22-13/h4-6,8,10-12H,7,9H2,1-3H3
InChIKeyKJYVRMURSNLMKE-UHFFFAOYSA-N
XLogP2.31
TPSA79.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6,7,8-trimethoxy-3-(2-pyridin-3-ylethyl)quinazolin-4-one
CID 171916232
3-(4-aminobutyl)-6,7,8-trimethoxyquinazolin-4-one
CID 171910792
3-[2-(benzotriazol-1-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-one
CID 171385492
3-(3-imidazol-1-ylpropyl)-6,7,8-trimethoxyquinazolin-4-one
CID 171388321
3-[3-(1H-imidazol-2-yl)propyl]-6,7,8-trimethoxyquinazolin-4-one
CID 171912180
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-(1-ethylpiperidin-4-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-one
CID 171388425
6,7,8-trimethoxy-3-(oxan-4-ylmethyl)quinazolin-4-one
CID 171389522
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(2-methoxyphenyl)ethanamine
CID 103603783
6,7,8-trimethoxy-3-[(4-methoxypiperidin-4-yl)methyl]quinazolin-4-one
CID 171909580
6,7,8-trimethoxy-3-(3-methoxyphenyl)quinazolin-4-one
CID 171906833

Frequently Asked Questions

What is the IUPAC name of 3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6,7,8-trimethoxyquinazolin-4-one?
The IUPAC name of 3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6,7,8-trimethoxyquinazolin-4-one (CID 171910845) is 3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6,7,8-trimethoxyquinazolin-4-one.
What is the SMILES notation for 3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6,7,8-trimethoxyquinazolin-4-one?
The canonical SMILES for 3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6,7,8-trimethoxyquinazolin-4-one is COc1cc2c(=O)n(CCc3cn4ccccc4n3)cnc2c(OC)c1OC.
What is the InChIKey of 3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6,7,8-trimethoxyquinazolin-4-one?
The InChIKey is KJYVRMURSNLMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-26-15-10-14-17(19(28-3)18(15)27-2)21-12-24(20(14)25)9-7-13-11-23-8-5-4-6-16(23)22-13/h4-6,8,10-12H,7,9H2,1-3H3.
What are the key properties of 3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6,7,8-trimethoxyquinazolin-4-one?
3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6,7,8-trimethoxyquinazolin-4-one has a molecular weight of 380.40 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6,7,8-trimethoxyquinazolin-4-one is sourced from PubChem (CID 171910845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).