N-(2-methoxyethyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide

C18H17N3O4 — CID 17412668

IUPACN-(2-methoxyethyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
SMILESCOCCNC(=O)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1
InChIInChI=1S/C18H17N3O4/c1-25-10-9-19-16(22)12-7-8-14-15(11-12)20-18(24)21(17(14)23)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,24)
InChIKeyLOZDAHSMHKRUKU-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.06
Rot. Bonds5

About N-(2-methoxyethyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide

N-(2-methoxyethyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide (PubChem CID 17412668) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
PubChem CID17412668
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC NameN-(2-methoxyethyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
SMILESCOCCNC(=O)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1
InChIInChI=1S/C18H17N3O4/c1-25-10-9-19-16(22)12-7-8-14-15(11-12)20-18(24)21(17(14)23)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,24)
InChIKeyLOZDAHSMHKRUKU-UHFFFAOYSA-N
XLogP1.06
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,4-dioxo-3-phenyl-N-prop-2-ynyl-1H-quinazoline-7-carboxamide
CID 17434509
2,4-dioxo-3-phenyl-N-(2-pyridin-2-ylethyl)-1H-quinazoline-7-carboxamide
CID 24540652
N-(2-morpholin-4-ylethyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
CID 22109781
2,4-dioxo-3-phenyl-N-(3-piperidin-1-ylpropyl)-1H-quinazoline-7-carboxamide
CID 41277198
N-methoxy-N-methyl-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
CID 17445259
N-(2-benzylsulfanylethyl)-3-(4-methylphenyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 15996626
N-(2-methoxyethyl)-4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide
CID 126479051
N-[2-(2-bromoanilino)-2-oxoethyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
CID 24681676
N-[(1-ethylbenzimidazol-2-yl)methyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
CID 24532368
N-(1-methylpyrazol-3-yl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
CID 17494842
N-[(2-methoxyphenyl)methyl]-N-methyl-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
CID 24546655
2,4-dioxo-3-phenyl-N'-(pyridine-2-carbonyl)-1H-quinazoline-7-carbohydrazide
CID 24531731

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide (CID 17412668) is N-(2-methoxyethyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide is COCCNC(=O)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1.
What is the InChIKey of N-(2-methoxyethyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide?
The InChIKey is LOZDAHSMHKRUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-25-10-9-19-16(22)12-7-8-14-15(11-12)20-18(24)21(17(14)23)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,24).
What are the key properties of N-(2-methoxyethyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide?
N-(2-methoxyethyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide has a molecular weight of 339.35 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 17412668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).