3-(2-methoxyethyl)-2,4-dioxo-N-prop-2-enyl-4aH-quinazoline-7-carboxamide

C15H17N3O4 — CID 73218421

IUPAC3-(2-methoxyethyl)-2,4-dioxo-N-prop-2-enyl-4aH-quinazoline-7-carboxamide
SMILESC=CCNC(=O)C1=CC2=NC(=O)N(CCOC)C(=O)C2C=C1
InChIInChI=1S/C15H17N3O4/c1-3-6-16-13(19)10-4-5-11-12(9-10)17-15(21)18(14(11)20)7-8-22-2/h3-5,9,11H,1,6-8H2,2H3,(H,16,19)
InChIKeyWVERQBMMKAKKCY-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.45
Rot. Bonds6

About 3-(2-methoxyethyl)-2,4-dioxo-N-prop-2-enyl-4aH-quinazoline-7-carboxamide

3-(2-methoxyethyl)-2,4-dioxo-N-prop-2-enyl-4aH-quinazoline-7-carboxamide (PubChem CID 73218421) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-2,4-dioxo-N-prop-2-enyl-4aH-quinazoline-7-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyethyl)-2,4-dioxo-N-prop-2-enyl-4aH-quinazoline-7-carboxamide
PubChem CID73218421
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name3-(2-methoxyethyl)-2,4-dioxo-N-prop-2-enyl-4aH-quinazoline-7-carboxamide
SMILESC=CCNC(=O)C1=CC2=NC(=O)N(CCOC)C(=O)C2C=C1
InChIInChI=1S/C15H17N3O4/c1-3-6-16-13(19)10-4-5-11-12(9-10)17-15(21)18(14(11)20)7-8-22-2/h3-5,9,11H,1,6-8H2,2H3,(H,16,19)
InChIKeyWVERQBMMKAKKCY-UHFFFAOYSA-N
XLogP0.45
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-2,4-dioxo-N-prop-2-enyl-4aH-quinazoline-7-carboxamide?
The IUPAC name of 3-(2-methoxyethyl)-2,4-dioxo-N-prop-2-enyl-4aH-quinazoline-7-carboxamide (CID 73218421) is 3-(2-methoxyethyl)-2,4-dioxo-N-prop-2-enyl-4aH-quinazoline-7-carboxamide.
What is the SMILES notation for 3-(2-methoxyethyl)-2,4-dioxo-N-prop-2-enyl-4aH-quinazoline-7-carboxamide?
The canonical SMILES for 3-(2-methoxyethyl)-2,4-dioxo-N-prop-2-enyl-4aH-quinazoline-7-carboxamide is C=CCNC(=O)C1=CC2=NC(=O)N(CCOC)C(=O)C2C=C1.
What is the InChIKey of 3-(2-methoxyethyl)-2,4-dioxo-N-prop-2-enyl-4aH-quinazoline-7-carboxamide?
The InChIKey is WVERQBMMKAKKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-3-6-16-13(19)10-4-5-11-12(9-10)17-15(21)18(14(11)20)7-8-22-2/h3-5,9,11H,1,6-8H2,2H3,(H,16,19).
What are the key properties of 3-(2-methoxyethyl)-2,4-dioxo-N-prop-2-enyl-4aH-quinazoline-7-carboxamide?
3-(2-methoxyethyl)-2,4-dioxo-N-prop-2-enyl-4aH-quinazoline-7-carboxamide has a molecular weight of 303.32 g/mol, XLogP of 0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-2,4-dioxo-N-prop-2-enyl-4aH-quinazoline-7-carboxamide is sourced from PubChem (CID 73218421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).