1,3-dimethyl-2,4-dioxo-N-(2-phenoxyethyl)quinazoline-6-carboxamide

C19H19N3O4 — CID 5305744

IUPAC1,3-dimethyl-2,4-dioxo-N-(2-phenoxyethyl)quinazoline-6-carboxamide
SMILESCn1c(=O)c2cc(C(=O)NCCOc3ccccc3)ccc2n(C)c1=O
InChIInChI=1S/C19H19N3O4/c1-21-16-9-8-13(12-15(16)18(24)22(2)19(21)25)17(23)20-10-11-26-14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,20,23)
InChIKeyBGAFFZJHIZWIRK-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.05
Rot. Bonds5

About 1,3-dimethyl-2,4-dioxo-N-(2-phenoxyethyl)quinazoline-6-carboxamide

1,3-dimethyl-2,4-dioxo-N-(2-phenoxyethyl)quinazoline-6-carboxamide (PubChem CID 5305744) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dioxo-N-(2-phenoxyethyl)quinazoline-6-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dioxo-N-(2-phenoxyethyl)quinazoline-6-carboxamide
PubChem CID5305744
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name1,3-dimethyl-2,4-dioxo-N-(2-phenoxyethyl)quinazoline-6-carboxamide
SMILESCn1c(=O)c2cc(C(=O)NCCOc3ccccc3)ccc2n(C)c1=O
InChIInChI=1S/C19H19N3O4/c1-21-16-9-8-13(12-15(16)18(24)22(2)19(21)25)17(23)20-10-11-26-14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,20,23)
InChIKeyBGAFFZJHIZWIRK-UHFFFAOYSA-N
XLogP1.05
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.05
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 1,3-dimethyl-2,4-dioxo-N-(2-phenoxyethyl)quinazoline-6-carboxamide?
The IUPAC name of 1,3-dimethyl-2,4-dioxo-N-(2-phenoxyethyl)quinazoline-6-carboxamide (CID 5305744) is 1,3-dimethyl-2,4-dioxo-N-(2-phenoxyethyl)quinazoline-6-carboxamide.
What is the SMILES notation for 1,3-dimethyl-2,4-dioxo-N-(2-phenoxyethyl)quinazoline-6-carboxamide?
The canonical SMILES for 1,3-dimethyl-2,4-dioxo-N-(2-phenoxyethyl)quinazoline-6-carboxamide is Cn1c(=O)c2cc(C(=O)NCCOc3ccccc3)ccc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-2,4-dioxo-N-(2-phenoxyethyl)quinazoline-6-carboxamide?
The InChIKey is BGAFFZJHIZWIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-21-16-9-8-13(12-15(16)18(24)22(2)19(21)25)17(23)20-10-11-26-14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,20,23).
What are the key properties of 1,3-dimethyl-2,4-dioxo-N-(2-phenoxyethyl)quinazoline-6-carboxamide?
1,3-dimethyl-2,4-dioxo-N-(2-phenoxyethyl)quinazoline-6-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4-dioxo-N-(2-phenoxyethyl)quinazoline-6-carboxamide is sourced from PubChem (CID 5305744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).