3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(2-methoxyethyl)propanamide

C14H17N3O4 — CID 78328124

IUPAC3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCN1C(=O)N=C2C=CC=CC2C1=O
InChIInChI=1S/C14H17N3O4/c1-21-9-7-15-12(18)6-8-17-13(19)10-4-2-3-5-11(10)16-14(17)20/h2-5,10H,6-9H2,1H3,(H,15,18)
InChIKeyDMBZPQMFFLPGKQ-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.28
Rot. Bonds6

About 3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(2-methoxyethyl)propanamide

3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(2-methoxyethyl)propanamide (PubChem CID 78328124) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(2-methoxyethyl)propanamide
PubChem CID78328124
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCN1C(=O)N=C2C=CC=CC2C1=O
InChIInChI=1S/C14H17N3O4/c1-21-9-7-15-12(18)6-8-17-13(19)10-4-2-3-5-11(10)16-14(17)20/h2-5,10H,6-9H2,1H3,(H,15,18)
InChIKeyDMBZPQMFFLPGKQ-UHFFFAOYSA-N
XLogP0.28
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(2,4-dioxo-4aH-quinazolin-3-yl)propanoate
CID 73255473
3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 78328408
N-butyl-6-(2,4-dioxo-4aH-quinazolin-3-yl)hexanamide
CID 78341563
3-(2-chloroethyl)-4aH-quinazoline-2,4-dione
CID 71650918
6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide
CID 78328371
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propanamide
CID 71242767
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 51341049
N-[(2-methoxyphenyl)methyl]-6-(4-oxo-2-sulfanylidene-4aH-quinazolin-3-yl)hexanamide
CID 78343273
3-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-4aH-quinazoline-2,4-dione
CID 78312698
N-(2-methoxyethyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 59257637
3-(2,5-dioxopyrrol-1-yl)-N-(4-methoxybutyl)propanamide;methane
CID 158981138
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-methoxyethyl)acetamide
CID 47097554

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(2-methoxyethyl)propanamide (CID 78328124) is 3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCN1C(=O)N=C2C=CC=CC2C1=O.
What is the InChIKey of 3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(2-methoxyethyl)propanamide?
The InChIKey is DMBZPQMFFLPGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-21-9-7-15-12(18)6-8-17-13(19)10-4-2-3-5-11(10)16-14(17)20/h2-5,10H,6-9H2,1H3,(H,15,18).
What are the key properties of 3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(2-methoxyethyl)propanamide?
3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(2-methoxyethyl)propanamide has a molecular weight of 291.31 g/mol, XLogP of 0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 78328124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).