N-(2-methoxyethyl)-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide

C17H23N3O4 — CID 73216907

IUPACN-(2-methoxyethyl)-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide
SMILESCCCCCN1C(=O)N=C2C=C(C(=O)NCCOC)C=CC2C1=O
InChIInChI=1S/C17H23N3O4/c1-3-4-5-9-20-16(22)13-7-6-12(11-14(13)19-17(20)23)15(21)18-8-10-24-2/h6-7,11,13H,3-5,8-10H2,1-2H3,(H,18,21)
InChIKeyGBIKNNXCMSTGEX-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.45
Rot. Bonds8

About N-(2-methoxyethyl)-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide

N-(2-methoxyethyl)-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide (PubChem CID 73216907) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide
PubChem CID73216907
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC NameN-(2-methoxyethyl)-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide
SMILESCCCCCN1C(=O)N=C2C=C(C(=O)NCCOC)C=CC2C1=O
InChIInChI=1S/C17H23N3O4/c1-3-4-5-9-20-16(22)13-7-6-12(11-14(13)19-17(20)23)15(21)18-8-10-24-2/h6-7,11,13H,3-5,8-10H2,1-2H3,(H,18,21)
InChIKeyGBIKNNXCMSTGEX-UHFFFAOYSA-N
XLogP1.45
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.45
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide (CID 73216907) is N-(2-methoxyethyl)-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide is CCCCCN1C(=O)N=C2C=C(C(=O)NCCOC)C=CC2C1=O.
What is the InChIKey of N-(2-methoxyethyl)-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide?
The InChIKey is GBIKNNXCMSTGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-3-4-5-9-20-16(22)13-7-6-12(11-14(13)19-17(20)23)15(21)18-8-10-24-2/h6-7,11,13H,3-5,8-10H2,1-2H3,(H,18,21).
What are the key properties of N-(2-methoxyethyl)-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide?
N-(2-methoxyethyl)-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 1.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide is sourced from PubChem (CID 73216907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).