5-(2,4-dioxo-1H-quinazolin-3-yl)-N-propylpentanamide

C16H21N3O3 — CID 119103654

IUPAC5-(2,4-dioxo-1H-quinazolin-3-yl)-N-propylpentanamide
SMILESCCCNC(=O)CCCCn1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C16H21N3O3/c1-2-10-17-14(20)9-5-6-11-19-15(21)12-7-3-4-8-13(12)18-16(19)22/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,17,20)(H,18,22)
InChIKeyRPSNHIIJMYUQAN-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.39
Rot. Bonds7

About 5-(2,4-dioxo-1H-quinazolin-3-yl)-N-propylpentanamide

5-(2,4-dioxo-1H-quinazolin-3-yl)-N-propylpentanamide (PubChem CID 119103654) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 5-(2,4-dioxo-1H-quinazolin-3-yl)-N-propylpentanamide.

Molecular Properties

Compound Name5-(2,4-dioxo-1H-quinazolin-3-yl)-N-propylpentanamide
PubChem CID119103654
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name5-(2,4-dioxo-1H-quinazolin-3-yl)-N-propylpentanamide
SMILESCCCNC(=O)CCCCn1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C16H21N3O3/c1-2-10-17-14(20)9-5-6-11-19-15(21)12-7-3-4-8-13(12)18-16(19)22/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,17,20)(H,18,22)
InChIKeyRPSNHIIJMYUQAN-UHFFFAOYSA-N
XLogP1.39
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.39
H-Bond Donors ≤ 52
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 5-(2,4-dioxo-1H-quinazolin-3-yl)-N-propylpentanamide?
The IUPAC name of 5-(2,4-dioxo-1H-quinazolin-3-yl)-N-propylpentanamide (CID 119103654) is 5-(2,4-dioxo-1H-quinazolin-3-yl)-N-propylpentanamide.
What is the SMILES notation for 5-(2,4-dioxo-1H-quinazolin-3-yl)-N-propylpentanamide?
The canonical SMILES for 5-(2,4-dioxo-1H-quinazolin-3-yl)-N-propylpentanamide is CCCNC(=O)CCCCn1c(=O)[nH]c2ccccc2c1=O.
What is the InChIKey of 5-(2,4-dioxo-1H-quinazolin-3-yl)-N-propylpentanamide?
The InChIKey is RPSNHIIJMYUQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-2-10-17-14(20)9-5-6-11-19-15(21)12-7-3-4-8-13(12)18-16(19)22/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,17,20)(H,18,22).
What are the key properties of 5-(2,4-dioxo-1H-quinazolin-3-yl)-N-propylpentanamide?
5-(2,4-dioxo-1H-quinazolin-3-yl)-N-propylpentanamide has a molecular weight of 303.36 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dioxo-1H-quinazolin-3-yl)-N-propylpentanamide is sourced from PubChem (CID 119103654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).