2-[7-[3-(dimethylamino)propoxy]-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene]-1-pyridin-3-ylethanone

C22H25N5O2 — CID 66595049

IUPAC2-[7-[3-(dimethylamino)propoxy]-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene]-1-pyridin-3-ylethanone
SMILESCN(C)CCCOc1cccc2c1NC(=CC(=O)c1cccnc1)N1CCN=C21
InChIInChI=1S/C22H25N5O2/c1-26(2)11-5-13-29-19-8-3-7-17-21(19)25-20(27-12-10-24-22(17)27)14-18(28)16-6-4-9-23-15-16/h3-4,6-9,14-15,25H,5,10-13H2,1-2H3
InChIKeyUNJKKOLFGHZRNX-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.62
Rot. Bonds7

About 2-[7-[3-(dimethylamino)propoxy]-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene]-1-pyridin-3-ylethanone

2-[7-[3-(dimethylamino)propoxy]-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene]-1-pyridin-3-ylethanone (PubChem CID 66595049) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-[7-[3-(dimethylamino)propoxy]-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene]-1-pyridin-3-ylethanone.

Molecular Properties

Compound Name2-[7-[3-(dimethylamino)propoxy]-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene]-1-pyridin-3-ylethanone
PubChem CID66595049
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name2-[7-[3-(dimethylamino)propoxy]-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene]-1-pyridin-3-ylethanone
SMILESCN(C)CCCOc1cccc2c1NC(=CC(=O)c1cccnc1)N1CCN=C21
InChIInChI=1S/C22H25N5O2/c1-26(2)11-5-13-29-19-8-3-7-17-21(19)25-20(27-12-10-24-22(17)27)14-18(28)16-6-4-9-23-15-16/h3-4,6-9,14-15,25H,5,10-13H2,1-2H3
InChIKeyUNJKKOLFGHZRNX-UHFFFAOYSA-N
XLogP2.62
TPSA70.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[7-[3-(dimethylamino)propoxy]-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene]-1-pyridin-3-ylethanone?
The IUPAC name of 2-[7-[3-(dimethylamino)propoxy]-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene]-1-pyridin-3-ylethanone (CID 66595049) is 2-[7-[3-(dimethylamino)propoxy]-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene]-1-pyridin-3-ylethanone.
What is the SMILES notation for 2-[7-[3-(dimethylamino)propoxy]-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene]-1-pyridin-3-ylethanone?
The canonical SMILES for 2-[7-[3-(dimethylamino)propoxy]-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene]-1-pyridin-3-ylethanone is CN(C)CCCOc1cccc2c1NC(=CC(=O)c1cccnc1)N1CCN=C21.
What is the InChIKey of 2-[7-[3-(dimethylamino)propoxy]-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene]-1-pyridin-3-ylethanone?
The InChIKey is UNJKKOLFGHZRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-26(2)11-5-13-29-19-8-3-7-17-21(19)25-20(27-12-10-24-22(17)27)14-18(28)16-6-4-9-23-15-16/h3-4,6-9,14-15,25H,5,10-13H2,1-2H3.
What are the key properties of 2-[7-[3-(dimethylamino)propoxy]-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene]-1-pyridin-3-ylethanone?
2-[7-[3-(dimethylamino)propoxy]-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene]-1-pyridin-3-ylethanone has a molecular weight of 391.48 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[3-(dimethylamino)propoxy]-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene]-1-pyridin-3-ylethanone is sourced from PubChem (CID 66595049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).