2-(7,9-dimethoxy-8-methyl-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-pyridin-3-ylethanone

C20H20N4O3 — CID 66595076

IUPAC2-(7,9-dimethoxy-8-methyl-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-pyridin-3-ylethanone
SMILESCOc1cc2c(c(OC)c1C)NC(=CC(=O)c1cccnc1)N1CCN=C21
InChIInChI=1S/C20H20N4O3/c1-12-16(26-2)9-14-18(19(12)27-3)23-17(24-8-7-22-20(14)24)10-15(25)13-5-4-6-21-11-13/h4-6,9-11,23H,7-8H2,1-3H3
InChIKeyOGQMEHBIMJSQSQ-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.62
Rot. Bonds4

About 2-(7,9-dimethoxy-8-methyl-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-pyridin-3-ylethanone

2-(7,9-dimethoxy-8-methyl-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-pyridin-3-ylethanone (PubChem CID 66595076) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-(7,9-dimethoxy-8-methyl-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-pyridin-3-ylethanone.

Molecular Properties

Compound Name2-(7,9-dimethoxy-8-methyl-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-pyridin-3-ylethanone
PubChem CID66595076
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name2-(7,9-dimethoxy-8-methyl-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-pyridin-3-ylethanone
SMILESCOc1cc2c(c(OC)c1C)NC(=CC(=O)c1cccnc1)N1CCN=C21
InChIInChI=1S/C20H20N4O3/c1-12-16(26-2)9-14-18(19(12)27-3)23-17(24-8-7-22-20(14)24)10-15(25)13-5-4-6-21-11-13/h4-6,9-11,23H,7-8H2,1-3H3
InChIKeyOGQMEHBIMJSQSQ-UHFFFAOYSA-N
XLogP2.62
TPSA76.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[[7-methoxy-5-(2-oxo-2-pyridin-3-ylethylidene)-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-8-yl]oxy]-N-methylacetamide;hydrochloride
CID 162334360
2-[[8-methyl-5-(2-oxo-2-pyridin-3-ylethylidene)-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-7-yl]oxy]acetic acid;hydrochloride
CID 159636329
1-pyridin-3-yl-2-(3,6,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,10,12-tetraen-7-ylidene)ethanone
CID 66595108
N'-acetyl-N-(7,9-dimethoxy-8-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)pyridine-3-carbohydrazide
CID 123954977
2-(8,9-dimethoxy-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-(6-methyl-3-pyridinyl)ethanone
CID 66595043
2-[7-[3-(dimethylamino)propoxy]-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene]-1-pyridin-3-ylethanone
CID 66595049
2-(8,9-dimethoxy-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-[6-(methylamino)-3-pyridinyl]ethanone
CID 66595074
2-(7-methoxy-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)-1-pyridin-3-ylethanone
CID 91005323
(4-methoxy-3-methylphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 110802881
2-[[7-methoxy-5-(2-oxo-2-pyridin-3-ylethyl)-2,3-dihydroimidazo[1,2-c]quinazolin-8-yl]oxy]acetic acid
CID 10475707
2-[[7-methoxy-5-(2-oxo-2-pyridin-3-ylethyl)-2,3-dihydroimidazo[1,2-c]quinazolin-8-yl]oxy]acetamide
CID 91417773
2-(8-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)-1-pyridin-3-ylethanone
CID 91536143

Frequently Asked Questions

What is the IUPAC name of 2-(7,9-dimethoxy-8-methyl-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-pyridin-3-ylethanone?
The IUPAC name of 2-(7,9-dimethoxy-8-methyl-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-pyridin-3-ylethanone (CID 66595076) is 2-(7,9-dimethoxy-8-methyl-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-pyridin-3-ylethanone.
What is the SMILES notation for 2-(7,9-dimethoxy-8-methyl-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-pyridin-3-ylethanone?
The canonical SMILES for 2-(7,9-dimethoxy-8-methyl-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-pyridin-3-ylethanone is COc1cc2c(c(OC)c1C)NC(=CC(=O)c1cccnc1)N1CCN=C21.
What is the InChIKey of 2-(7,9-dimethoxy-8-methyl-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-pyridin-3-ylethanone?
The InChIKey is OGQMEHBIMJSQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-12-16(26-2)9-14-18(19(12)27-3)23-17(24-8-7-22-20(14)24)10-15(25)13-5-4-6-21-11-13/h4-6,9-11,23H,7-8H2,1-3H3.
What are the key properties of 2-(7,9-dimethoxy-8-methyl-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-pyridin-3-ylethanone?
2-(7,9-dimethoxy-8-methyl-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-pyridin-3-ylethanone has a molecular weight of 364.41 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,9-dimethoxy-8-methyl-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-pyridin-3-ylethanone is sourced from PubChem (CID 66595076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).