3-ethyl-7-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinazoline-2,4-dione;hydrochloride

C17H23ClN4O3 — CID 119539121

IUPAC3-ethyl-7-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinazoline-2,4-dione;hydrochloride
SMILESCCn1c(=O)[nH]c2cc(C(=O)N3CCC(CNC)C3)ccc2c1=O.Cl
InChIInChI=1S/C17H22N4O3.ClH/c1-3-21-16(23)13-5-4-12(8-14(13)19-17(21)24)15(22)20-7-6-11(10-20)9-18-2;/h4-5,8,11,18H,3,6-7,9-10H2,1-2H3,(H,19,24);1H
InChIKeyNUHYHGHXYFMZPF-UHFFFAOYSA-N
MW366.85 g/mol
LogP0.81
Rot. Bonds4

About 3-ethyl-7-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinazoline-2,4-dione;hydrochloride

3-ethyl-7-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinazoline-2,4-dione;hydrochloride (PubChem CID 119539121) has the molecular formula C17H23ClN4O3 and a molecular weight of 366.85 g/mol. Its IUPAC name is 3-ethyl-7-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinazoline-2,4-dione;hydrochloride.

Molecular Properties

Compound Name3-ethyl-7-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinazoline-2,4-dione;hydrochloride
PubChem CID119539121
Molecular FormulaC17H23ClN4O3
Molecular Weight366.85 g/mol
Exact Mass366.15
IUPAC Name3-ethyl-7-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinazoline-2,4-dione;hydrochloride
SMILESCCn1c(=O)[nH]c2cc(C(=O)N3CCC(CNC)C3)ccc2c1=O.Cl
InChIInChI=1S/C17H22N4O3.ClH/c1-3-21-16(23)13-5-4-12(8-14(13)19-17(21)24)15(22)20-7-6-11(10-20)9-18-2;/h4-5,8,11,18H,3,6-7,9-10H2,1-2H3,(H,19,24);1H
InChIKeyNUHYHGHXYFMZPF-UHFFFAOYSA-N
XLogP0.81
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-7-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinazoline-2,4-dione
CID 119649230
1-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperidine-4-carboxylic acid
CID 119166689
3-ethyl-N-[(3R)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 166367509
7-[4-(3-aminopropoxy)piperidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione;hydrochloride
CID 119662095
3-ethyl-7-(9-methyl-6-azaspiro[3.5]nonane-6-carbonyl)-1H-quinazoline-2,4-dione
CID 127729496
3-ethyl-7-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]-1H-quinazoline-2,4-dione
CID 55827425
7-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione
CID 55813211
(4-fluorophenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63264042
7-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione
CID 52659839
(2S)-1-(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)piperidine-2-carboxylic acid
CID 125132965
3-cyclopentyl-6-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one
CID 119398391
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
CID 119542048

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinazoline-2,4-dione;hydrochloride?
The IUPAC name of 3-ethyl-7-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinazoline-2,4-dione;hydrochloride (CID 119539121) is 3-ethyl-7-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinazoline-2,4-dione;hydrochloride.
What is the SMILES notation for 3-ethyl-7-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinazoline-2,4-dione;hydrochloride?
The canonical SMILES for 3-ethyl-7-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinazoline-2,4-dione;hydrochloride is CCn1c(=O)[nH]c2cc(C(=O)N3CCC(CNC)C3)ccc2c1=O.Cl.
What is the InChIKey of 3-ethyl-7-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinazoline-2,4-dione;hydrochloride?
The InChIKey is NUHYHGHXYFMZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3.ClH/c1-3-21-16(23)13-5-4-12(8-14(13)19-17(21)24)15(22)20-7-6-11(10-20)9-18-2;/h4-5,8,11,18H,3,6-7,9-10H2,1-2H3,(H,19,24);1H.
What are the key properties of 3-ethyl-7-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinazoline-2,4-dione;hydrochloride?
3-ethyl-7-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinazoline-2,4-dione;hydrochloride has a molecular weight of 366.85 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinazoline-2,4-dione;hydrochloride is sourced from PubChem (CID 119539121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).