N,3-bis(2-methoxyethyl)-4-oxoquinazoline-2-carboxamide

C15H19N3O4 — CID 39313481

IUPACN,3-bis(2-methoxyethyl)-4-oxoquinazoline-2-carboxamide
SMILESCOCCNC(=O)c1nc2ccccc2c(=O)n1CCOC
InChIInChI=1S/C15H19N3O4/c1-21-9-7-16-14(19)13-17-12-6-4-3-5-11(12)15(20)18(13)8-10-22-2/h3-6H,7-10H2,1-2H3,(H,16,19)
InChIKeyXWNMYVJFDWHBNB-UHFFFAOYSA-N
MW305.33 g/mol
LogP0.42
Rot. Bonds7

About N,3-bis(2-methoxyethyl)-4-oxoquinazoline-2-carboxamide

N,3-bis(2-methoxyethyl)-4-oxoquinazoline-2-carboxamide (PubChem CID 39313481) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is N,3-bis(2-methoxyethyl)-4-oxoquinazoline-2-carboxamide.

Molecular Properties

Compound NameN,3-bis(2-methoxyethyl)-4-oxoquinazoline-2-carboxamide
PubChem CID39313481
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC NameN,3-bis(2-methoxyethyl)-4-oxoquinazoline-2-carboxamide
SMILESCOCCNC(=O)c1nc2ccccc2c(=O)n1CCOC
InChIInChI=1S/C15H19N3O4/c1-21-9-7-16-14(19)13-17-12-6-4-3-5-11(12)15(20)18(13)8-10-22-2/h3-6H,7-10H2,1-2H3,(H,16,19)
InChIKeyXWNMYVJFDWHBNB-UHFFFAOYSA-N
XLogP0.42
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N,3-bis(2-methoxyethyl)-4-oxoquinazoline-2-carboxamide?
The IUPAC name of N,3-bis(2-methoxyethyl)-4-oxoquinazoline-2-carboxamide (CID 39313481) is N,3-bis(2-methoxyethyl)-4-oxoquinazoline-2-carboxamide.
What is the SMILES notation for N,3-bis(2-methoxyethyl)-4-oxoquinazoline-2-carboxamide?
The canonical SMILES for N,3-bis(2-methoxyethyl)-4-oxoquinazoline-2-carboxamide is COCCNC(=O)c1nc2ccccc2c(=O)n1CCOC.
What is the InChIKey of N,3-bis(2-methoxyethyl)-4-oxoquinazoline-2-carboxamide?
The InChIKey is XWNMYVJFDWHBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-21-9-7-16-14(19)13-17-12-6-4-3-5-11(12)15(20)18(13)8-10-22-2/h3-6H,7-10H2,1-2H3,(H,16,19).
What are the key properties of N,3-bis(2-methoxyethyl)-4-oxoquinazoline-2-carboxamide?
N,3-bis(2-methoxyethyl)-4-oxoquinazoline-2-carboxamide has a molecular weight of 305.33 g/mol, XLogP of 0.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-bis(2-methoxyethyl)-4-oxoquinazoline-2-carboxamide is sourced from PubChem (CID 39313481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).