1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-3-methylpyrrolidine-3-carboxylic acid

C17H19N3O5 — CID 119256924

IUPAC1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)C1
InChIInChI=1S/C17H19N3O5/c1-17(15(23)24)7-9-19(10-17)13(21)6-8-20-12-5-3-2-4-11(12)14(22)18-16(20)25/h2-5H,6-10H2,1H3,(H,23,24)(H,18,22,25)
InChIKeySPUDRBZGSLLYKU-UHFFFAOYSA-N
MW345.36 g/mol
LogP0.40
Rot. Bonds4

About 1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-3-methylpyrrolidine-3-carboxylic acid

1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 119256924) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is 1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID119256924
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)C1
InChIInChI=1S/C17H19N3O5/c1-17(15(23)24)7-9-19(10-17)13(21)6-8-20-12-5-3-2-4-11(12)14(22)18-16(20)25/h2-5H,6-10H2,1H3,(H,23,24)(H,18,22,25)
InChIKeySPUDRBZGSLLYKU-UHFFFAOYSA-N
XLogP0.40
TPSA112.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-3-oxopropyl]quinazoline-2,4-dione
CID 124589712
1-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]quinazoline-2,4-dione
CID 24545134
1-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione
CID 51274736
1-[3-(1,4-dioxo-3H-phthalazin-2-yl)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256349
1-[3-oxo-3-[4-(2-phenylethyl)piperazin-1-yl]propyl]quinazoline-2,4-dione
CID 31952799
1-[3-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-3-oxopropyl]quinazoline-2,4-dione
CID 136539345
1-[3-(3,3-dimethyl-2H-indol-1-yl)-3-oxopropyl]quinazoline-2,4-dione
CID 166217790
1-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]quinazoline-2,4-dione
CID 41310154
1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinazoline-2,4-dione
CID 25392952
1-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]quinazoline-2,4-dione
CID 25398527
1-[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-oxopropyl]quinazoline-2,4-dione
CID 119623359
2-[4-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 166196801

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-3-methylpyrrolidine-3-carboxylic acid (CID 119256924) is 1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-3-methylpyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)C1.
What is the InChIKey of 1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is SPUDRBZGSLLYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-17(15(23)24)7-9-19(10-17)13(21)6-8-20-12-5-3-2-4-11(12)14(22)18-16(20)25/h2-5H,6-10H2,1H3,(H,23,24)(H,18,22,25).
What are the key properties of 1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 345.36 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119256924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).