3-ethyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide

C20H19N5O3 — CID 55818498

IUPAC3-ethyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCCn1c(=O)[nH]c2cc(C(=O)NCCc3cn4ccccc4n3)ccc2c1=O
InChIInChI=1S/C20H19N5O3/c1-2-25-19(27)15-7-6-13(11-16(15)23-20(25)28)18(26)21-9-8-14-12-24-10-4-3-5-17(24)22-14/h3-7,10-12H,2,8-9H2,1H3,(H,21,26)(H,23,28)
InChIKeySDWYCCCGOIBSIM-UHFFFAOYSA-N
MW377.40 g/mol
LogP1.33
Rot. Bonds5

About 3-ethyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide

3-ethyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide (PubChem CID 55818498) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 3-ethyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
PubChem CID55818498
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name3-ethyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCCn1c(=O)[nH]c2cc(C(=O)NCCc3cn4ccccc4n3)ccc2c1=O
InChIInChI=1S/C20H19N5O3/c1-2-25-19(27)15-7-6-13(11-16(15)23-20(25)28)18(26)21-9-8-14-12-24-10-4-3-5-17(24)22-14/h3-7,10-12H,2,8-9H2,1H3,(H,21,26)(H,23,28)
InChIKeySDWYCCCGOIBSIM-UHFFFAOYSA-N
XLogP1.33
TPSA101.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-ethyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide?
The IUPAC name of 3-ethyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide (CID 55818498) is 3-ethyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide.
What is the SMILES notation for 3-ethyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide?
The canonical SMILES for 3-ethyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide is CCn1c(=O)[nH]c2cc(C(=O)NCCc3cn4ccccc4n3)ccc2c1=O.
What is the InChIKey of 3-ethyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide?
The InChIKey is SDWYCCCGOIBSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-2-25-19(27)15-7-6-13(11-16(15)23-20(25)28)18(26)21-9-8-14-12-24-10-4-3-5-17(24)22-14/h3-7,10-12H,2,8-9H2,1H3,(H,21,26)(H,23,28).
What are the key properties of 3-ethyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide?
3-ethyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 55818498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).