2-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1,3-thiazole-4-carboxamide

C22H26N6O4S — CID 153424447

IUPAC2-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1c(OCCCN2CCOCC2)ccc2c1N=C(c1nc(C(N)=O)cs1)N1CCN=C21
InChIInChI=1S/C22H26N6O4S/c1-30-18-16(32-10-2-6-27-8-11-31-12-9-27)4-3-14-17(18)26-21(28-7-5-24-20(14)28)22-25-15(13-33-22)19(23)29/h3-4,13H,2,5-12H2,1H3,(H2,23,29)
InChIKeyWUWIIKUBIZSFIQ-UHFFFAOYSA-N
MW470.56 g/mol
LogP1.51
Rot. Bonds8

About 2-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1,3-thiazole-4-carboxamide

2-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1,3-thiazole-4-carboxamide (PubChem CID 153424447) has the molecular formula C22H26N6O4S and a molecular weight of 470.56 g/mol. Its IUPAC name is 2-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1,3-thiazole-4-carboxamide
PubChem CID153424447
Molecular FormulaC22H26N6O4S
Molecular Weight470.56 g/mol
Exact Mass470.17
IUPAC Name2-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1c(OCCCN2CCOCC2)ccc2c1N=C(c1nc(C(N)=O)cs1)N1CCN=C21
InChIInChI=1S/C22H26N6O4S/c1-30-18-16(32-10-2-6-27-8-11-31-12-9-27)4-3-14-17(18)26-21(28-7-5-24-20(14)28)22-25-15(13-33-22)19(23)29/h3-4,13H,2,5-12H2,1H3,(H2,23,29)
InChIKeyWUWIIKUBIZSFIQ-UHFFFAOYSA-N
XLogP1.51
TPSA114.87 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.56
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1,3-thiazole-4-carboxamide (CID 153424447) is 2-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1,3-thiazole-4-carboxamide is COc1c(OCCCN2CCOCC2)ccc2c1N=C(c1nc(C(N)=O)cs1)N1CCN=C21.
What is the InChIKey of 2-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is WUWIIKUBIZSFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O4S/c1-30-18-16(32-10-2-6-27-8-11-31-12-9-27)4-3-14-17(18)26-21(28-7-5-24-20(14)28)22-25-15(13-33-22)19(23)29/h3-4,13H,2,5-12H2,1H3,(H2,23,29).
What are the key properties of 2-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1,3-thiazole-4-carboxamide?
2-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 470.56 g/mol, XLogP of 1.51, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 153424447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).