N-methoxy-N-methyl-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide

C17H15N3O4 — CID 17445259

IUPACN-methoxy-N-methyl-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
SMILESCON(C)C(=O)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1
InChIInChI=1S/C17H15N3O4/c1-19(24-2)15(21)11-8-9-13-14(10-11)18-17(23)20(16(13)22)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,18,23)
InChIKeyUUYUSPVCSBLOOT-UHFFFAOYSA-N
MW325.32 g/mol
LogP1.31
Rot. Bonds3

About N-methoxy-N-methyl-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide

N-methoxy-N-methyl-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide (PubChem CID 17445259) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is N-methoxy-N-methyl-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
PubChem CID17445259
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC NameN-methoxy-N-methyl-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
SMILESCON(C)C(=O)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1
InChIInChI=1S/C17H15N3O4/c1-19(24-2)15(21)11-8-9-13-14(10-11)18-17(23)20(16(13)22)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,18,23)
InChIKeyUUYUSPVCSBLOOT-UHFFFAOYSA-N
XLogP1.31
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide?
The IUPAC name of N-methoxy-N-methyl-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide (CID 17445259) is N-methoxy-N-methyl-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide.
What is the SMILES notation for N-methoxy-N-methyl-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide?
The canonical SMILES for N-methoxy-N-methyl-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide is CON(C)C(=O)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1.
What is the InChIKey of N-methoxy-N-methyl-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide?
The InChIKey is UUYUSPVCSBLOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-19(24-2)15(21)11-8-9-13-14(10-11)18-17(23)20(16(13)22)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,18,23).
What are the key properties of N-methoxy-N-methyl-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide?
N-methoxy-N-methyl-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide has a molecular weight of 325.32 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 17445259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).