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

C19H25N3O4 — CID 73218146

IUPAC2,4-dioxo-N-(oxolan-2-ylmethyl)-3-pentyl-4aH-quinazoline-7-carboxamide
SMILESCCCCCN1C(=O)N=C2C=C(C(=O)NCC3CCCO3)C=CC2C1=O
InChIInChI=1S/C19H25N3O4/c1-2-3-4-9-22-18(24)15-8-7-13(11-16(15)21-19(22)25)17(23)20-12-14-6-5-10-26-14/h7-8,11,14-15H,2-6,9-10,12H2,1H3,(H,20,23)
InChIKeyZJZAZAFVTZRQCN-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.99
Rot. Bonds7

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

2,4-dioxo-N-(oxolan-2-ylmethyl)-3-pentyl-4aH-quinazoline-7-carboxamide (PubChem CID 73218146) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2,4-dioxo-N-(oxolan-2-ylmethyl)-3-pentyl-4aH-quinazoline-7-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-N-(oxolan-2-ylmethyl)-3-pentyl-4aH-quinazoline-7-carboxamide
PubChem CID73218146
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name2,4-dioxo-N-(oxolan-2-ylmethyl)-3-pentyl-4aH-quinazoline-7-carboxamide
SMILESCCCCCN1C(=O)N=C2C=C(C(=O)NCC3CCCO3)C=CC2C1=O
InChIInChI=1S/C19H25N3O4/c1-2-3-4-9-22-18(24)15-8-7-13(11-16(15)21-19(22)25)17(23)20-12-14-6-5-10-26-14/h7-8,11,14-15H,2-6,9-10,12H2,1H3,(H,20,23)
InChIKeyZJZAZAFVTZRQCN-UHFFFAOYSA-N
XLogP1.99
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.99
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 2,4-dioxo-N-(oxolan-2-ylmethyl)-3-pentyl-4aH-quinazoline-7-carboxamide?
The IUPAC name of 2,4-dioxo-N-(oxolan-2-ylmethyl)-3-pentyl-4aH-quinazoline-7-carboxamide (CID 73218146) is 2,4-dioxo-N-(oxolan-2-ylmethyl)-3-pentyl-4aH-quinazoline-7-carboxamide.
What is the SMILES notation for 2,4-dioxo-N-(oxolan-2-ylmethyl)-3-pentyl-4aH-quinazoline-7-carboxamide?
The canonical SMILES for 2,4-dioxo-N-(oxolan-2-ylmethyl)-3-pentyl-4aH-quinazoline-7-carboxamide is CCCCCN1C(=O)N=C2C=C(C(=O)NCC3CCCO3)C=CC2C1=O.
What is the InChIKey of 2,4-dioxo-N-(oxolan-2-ylmethyl)-3-pentyl-4aH-quinazoline-7-carboxamide?
The InChIKey is ZJZAZAFVTZRQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-2-3-4-9-22-18(24)15-8-7-13(11-16(15)21-19(22)25)17(23)20-12-14-6-5-10-26-14/h7-8,11,14-15H,2-6,9-10,12H2,1H3,(H,20,23).
What are the key properties of 2,4-dioxo-N-(oxolan-2-ylmethyl)-3-pentyl-4aH-quinazoline-7-carboxamide?
2,4-dioxo-N-(oxolan-2-ylmethyl)-3-pentyl-4aH-quinazoline-7-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-(oxolan-2-ylmethyl)-3-pentyl-4aH-quinazoline-7-carboxamide is sourced from PubChem (CID 73218146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).