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

C20H20N4O3 — CID 66595043

IUPAC2-(8,9-dimethoxy-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-(6-methyl-3-pyridinyl)ethanone
SMILESCOc1cc2c(cc1OC)C1=NCCN1C(=CC(=O)c1ccc(C)nc1)N2
InChIInChI=1S/C20H20N4O3/c1-12-4-5-13(11-22-12)16(25)10-19-23-15-9-18(27-3)17(26-2)8-14(15)20-21-6-7-24(19)20/h4-5,8-11,23H,6-7H2,1-3H3
InChIKeySWOWNHIQHLBMJO-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.62
Rot. Bonds4

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

2-(8,9-dimethoxy-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-(6-methyl-3-pyridinyl)ethanone (PubChem CID 66595043) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-(8,9-dimethoxy-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-(6-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(8,9-dimethoxy-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-(6-methyl-3-pyridinyl)ethanone
PubChem CID66595043
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name2-(8,9-dimethoxy-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-(6-methyl-3-pyridinyl)ethanone
SMILESCOc1cc2c(cc1OC)C1=NCCN1C(=CC(=O)c1ccc(C)nc1)N2
InChIInChI=1S/C20H20N4O3/c1-12-4-5-13(11-22-12)16(25)10-19-23-15-9-18(27-3)17(26-2)8-14(15)20-21-6-7-24(19)20/h4-5,8-11,23H,6-7H2,1-3H3
InChIKeySWOWNHIQHLBMJO-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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Frequently Asked Questions

What is the IUPAC name of 2-(8,9-dimethoxy-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-(6-methyl-3-pyridinyl)ethanone?
The IUPAC name of 2-(8,9-dimethoxy-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-(6-methyl-3-pyridinyl)ethanone (CID 66595043) is 2-(8,9-dimethoxy-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-(6-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 2-(8,9-dimethoxy-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-(6-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 2-(8,9-dimethoxy-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-(6-methyl-3-pyridinyl)ethanone is COc1cc2c(cc1OC)C1=NCCN1C(=CC(=O)c1ccc(C)nc1)N2.
What is the InChIKey of 2-(8,9-dimethoxy-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-(6-methyl-3-pyridinyl)ethanone?
The InChIKey is SWOWNHIQHLBMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-12-4-5-13(11-22-12)16(25)10-19-23-15-9-18(27-3)17(26-2)8-14(15)20-21-6-7-24(19)20/h4-5,8-11,23H,6-7H2,1-3H3.
What are the key properties of 2-(8,9-dimethoxy-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-(6-methyl-3-pyridinyl)ethanone?
2-(8,9-dimethoxy-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-(6-methyl-3-pyridinyl)ethanone 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-(8,9-dimethoxy-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-(6-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 66595043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).