3-(2-methoxyethyl)-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide

C18H18N4O3 — CID 39046243

IUPAC3-(2-methoxyethyl)-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide
SMILESCOCCn1c(C(=O)NCc2ccncc2)nc2ccccc2c1=O
InChIInChI=1S/C18H18N4O3/c1-25-11-10-22-16(17(23)20-12-13-6-8-19-9-7-13)21-15-5-3-2-4-14(15)18(22)24/h2-9H,10-12H2,1H3,(H,20,23)
InChIKeyXQQMIVDURPUSOM-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.37
Rot. Bonds6

About 3-(2-methoxyethyl)-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide

3-(2-methoxyethyl)-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide (PubChem CID 39046243) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyethyl)-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide
PubChem CID39046243
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name3-(2-methoxyethyl)-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide
SMILESCOCCn1c(C(=O)NCc2ccncc2)nc2ccccc2c1=O
InChIInChI=1S/C18H18N4O3/c1-25-11-10-22-16(17(23)20-12-13-6-8-19-9-7-13)21-15-5-3-2-4-14(15)18(22)24/h2-9H,10-12H2,1H3,(H,20,23)
InChIKeyXQQMIVDURPUSOM-UHFFFAOYSA-N
XLogP1.37
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide?
The IUPAC name of 3-(2-methoxyethyl)-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide (CID 39046243) is 3-(2-methoxyethyl)-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide.
What is the SMILES notation for 3-(2-methoxyethyl)-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide?
The canonical SMILES for 3-(2-methoxyethyl)-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide is COCCn1c(C(=O)NCc2ccncc2)nc2ccccc2c1=O.
What is the InChIKey of 3-(2-methoxyethyl)-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide?
The InChIKey is XQQMIVDURPUSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-25-11-10-22-16(17(23)20-12-13-6-8-19-9-7-13)21-15-5-3-2-4-14(15)18(22)24/h2-9H,10-12H2,1H3,(H,20,23).
What are the key properties of 3-(2-methoxyethyl)-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide?
3-(2-methoxyethyl)-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide is sourced from PubChem (CID 39046243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).