2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide

C25H25N5O3 — CID 55885574

IUPAC2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)c1=O
InChIInChI=1S/C25H25N5O3/c1-2-29-24(32)19-7-3-4-8-21(19)30(25(29)33)16-23(31)26-18-12-10-17(11-13-18)20-15-28-14-6-5-9-22(28)27-20/h3-4,7-8,10-13,15H,2,5-6,9,14,16H2,1H3,(H,26,31)
InChIKeyVROKVEJXOIBHRB-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.02
Rot. Bonds5

About 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide

2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide (PubChem CID 55885574) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
PubChem CID55885574
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Name2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)c1=O
InChIInChI=1S/C25H25N5O3/c1-2-29-24(32)19-7-3-4-8-21(19)30(25(29)33)16-23(31)26-18-12-10-17(11-13-18)20-15-28-14-6-5-9-22(28)27-20/h3-4,7-8,10-13,15H,2,5-6,9,14,16H2,1H3,(H,26,31)
InChIKeyVROKVEJXOIBHRB-UHFFFAOYSA-N
XLogP3.02
TPSA90.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 55886358
2-(4-oxoquinazolin-3-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 60525455
2-ethylsulfonyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 71937815
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 60525291
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide
CID 38842169
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[4-(1-phenylethylamino)phenyl]acetamide
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CID 26465857
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CID 119953344
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 35278255
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-quinolin-3-ylacetamide
CID 29331067
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CID 26465653
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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide?
The IUPAC name of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide (CID 55885574) is 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide is CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)c1=O.
What is the InChIKey of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide?
The InChIKey is VROKVEJXOIBHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-2-29-24(32)19-7-3-4-8-21(19)30(25(29)33)16-23(31)26-18-12-10-17(11-13-18)20-15-28-14-6-5-9-22(28)27-20/h3-4,7-8,10-13,15H,2,5-6,9,14,16H2,1H3,(H,26,31).
What are the key properties of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide?
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide has a molecular weight of 443.51 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide is sourced from PubChem (CID 55885574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).