1-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperidine-4-carboxylic acid

C17H19N3O5 — CID 119166689

IUPAC1-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperidine-4-carboxylic acid
SMILESCCn1c(=O)[nH]c2cc(C(=O)N3CCC(C(=O)O)CC3)ccc2c1=O
InChIInChI=1S/C17H19N3O5/c1-2-20-15(22)12-4-3-11(9-13(12)18-17(20)25)14(21)19-7-5-10(6-8-19)16(23)24/h3-4,9-10H,2,5-8H2,1H3,(H,18,25)(H,23,24)
InChIKeyZFIYMHBOZWFGNF-UHFFFAOYSA-N
MW345.36 g/mol
LogP0.65
Rot. Bonds3

About 1-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperidine-4-carboxylic acid

1-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperidine-4-carboxylic acid (PubChem CID 119166689) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is 1-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperidine-4-carboxylic acid
PubChem CID119166689
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name1-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperidine-4-carboxylic acid
SMILESCCn1c(=O)[nH]c2cc(C(=O)N3CCC(C(=O)O)CC3)ccc2c1=O
InChIInChI=1S/C17H19N3O5/c1-2-20-15(22)12-4-3-11(9-13(12)18-17(20)25)14(21)19-7-5-10(6-8-19)16(23)24/h3-4,9-10H,2,5-8H2,1H3,(H,18,25)(H,23,24)
InChIKeyZFIYMHBOZWFGNF-UHFFFAOYSA-N
XLogP0.65
TPSA112.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione
CID 55813211
(2S)-1-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperidine-2-carboxylic acid
CID 125132965
3-ethyl-7-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]-1H-quinazoline-2,4-dione
CID 55827425
7-[4-(3-aminopropoxy)piperidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione;hydrochloride
CID 119662095
3-ethyl-7-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinazoline-2,4-dione;hydrochloride
CID 119539121
3-ethyl-7-(9-methyl-6-azaspiro[3.5]nonane-6-carbonyl)-1H-quinazoline-2,4-dione
CID 127729496
7-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione
CID 52659839
7-(azepane-1-carbonyl)-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one
CID 27659116
3-ethyl-7-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinazoline-2,4-dione
CID 119649230
3-ethyl-N-[(3R)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 166367509
7-(4-methylpiperazine-1-carbonyl)-3-pentyl-1H-quinazoline-2,4-dione
CID 15992912
7-(4-benzylpiperazine-1-carbonyl)-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one
CID 27671511

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperidine-4-carboxylic acid (CID 119166689) is 1-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperidine-4-carboxylic acid is CCn1c(=O)[nH]c2cc(C(=O)N3CCC(C(=O)O)CC3)ccc2c1=O.
What is the InChIKey of 1-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is ZFIYMHBOZWFGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-2-20-15(22)12-4-3-11(9-13(12)18-17(20)25)14(21)19-7-5-10(6-8-19)16(23)24/h3-4,9-10H,2,5-8H2,1H3,(H,18,25)(H,23,24).
What are the key properties of 1-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperidine-4-carboxylic acid?
1-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 345.36 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 119166689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).