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

C16H21N3O3 — CID 78328121

IUPAC3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-pentylpropanamide
SMILESCCCCCNC(=O)CCN1C(=O)N=C2C=CC=CC2C1=O
InChIInChI=1S/C16H21N3O3/c1-2-3-6-10-17-14(20)9-11-19-15(21)12-7-4-5-8-13(12)18-16(19)22/h4-5,7-8,12H,2-3,6,9-11H2,1H3,(H,17,20)
InChIKeyHTGTWUDZRRGIGO-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.83
Rot. Bonds7

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

3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-pentylpropanamide (PubChem CID 78328121) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-pentylpropanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-pentylpropanamide
PubChem CID78328121
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-pentylpropanamide
SMILESCCCCCNC(=O)CCN1C(=O)N=C2C=CC=CC2C1=O
InChIInChI=1S/C16H21N3O3/c1-2-3-6-10-17-14(20)9-11-19-15(21)12-7-4-5-8-13(12)18-16(19)22/h4-5,7-8,12H,2-3,6,9-11H2,1H3,(H,17,20)
InChIKeyHTGTWUDZRRGIGO-UHFFFAOYSA-N
XLogP1.83
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-methyl-N-[3-[[[(Z)-non-5-en-4-ylidene]amino]methylamino]propyl]butanamide
CID 123815456
2-methyl-3,4a-dihydro-2H-quinazolin-4-one
CID 143167493
3-(2-methylpropyl)-4aH-quinazoline-2,4-dione
CID 73164602
N-butan-2-yl-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide
CID 73215559
4-(6-bromo-2,4-dioxo-4aH-quinazolin-3-yl)-N-[3-(diethylamino)propyl]butanamide
CID 73215632
2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 73216669
N-[3-(azepan-1-yl)propyl]-2-(2,4-dioxo-4aH-quinazolin-3-yl)acetamide
CID 73216955
N-cyclopentyl-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide
CID 73216984
N-cyclohexyl-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide
CID 73217208
2,4-dioxo-3-pentyl-N-(2-pyrrolidin-1-ylethyl)-4aH-quinazoline-7-carboxamide
CID 73217210
2,4-dioxo-3-pentyl-N-propan-2-yl-4aH-quinazoline-7-carboxamide
CID 73218151
N-[2-(cyclohexen-1-yl)ethyl]-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide
CID 73218333

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-pentylpropanamide?
The IUPAC name of 3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-pentylpropanamide (CID 78328121) is 3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-pentylpropanamide.
What is the SMILES notation for 3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-pentylpropanamide?
The canonical SMILES for 3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-pentylpropanamide is CCCCCNC(=O)CCN1C(=O)N=C2C=CC=CC2C1=O.
What is the InChIKey of 3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-pentylpropanamide?
The InChIKey is HTGTWUDZRRGIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-2-3-6-10-17-14(20)9-11-19-15(21)12-7-4-5-8-13(12)18-16(19)22/h4-5,7-8,12H,2-3,6,9-11H2,1H3,(H,17,20).
What are the key properties of 3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-pentylpropanamide?
3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-pentylpropanamide has a molecular weight of 303.36 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-pentylpropanamide is sourced from PubChem (CID 78328121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).