3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione;hydrochloride

C16H21ClN4O3 — CID 119651054

IUPAC3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione;hydrochloride
SMILESCNCC1CCCN1C(=O)Cn1c(=O)[nH]c2ccccc2c1=O.Cl
InChIInChI=1S/C16H20N4O3.ClH/c1-17-9-11-5-4-8-19(11)14(21)10-20-15(22)12-6-2-3-7-13(12)18-16(20)23;/h2-3,6-7,11,17H,4-5,8-10H2,1H3,(H,18,23);1H
InChIKeyIZLWUNWQWGAQCP-UHFFFAOYSA-N
MW352.82 g/mol
LogP0.32
Rot. Bonds4

About 3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione;hydrochloride

3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione;hydrochloride (PubChem CID 119651054) has the molecular formula C16H21ClN4O3 and a molecular weight of 352.82 g/mol. Its IUPAC name is 3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione;hydrochloride.

Molecular Properties

Compound Name3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione;hydrochloride
PubChem CID119651054
Molecular FormulaC16H21ClN4O3
Molecular Weight352.82 g/mol
Exact Mass352.13
IUPAC Name3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione;hydrochloride
SMILESCNCC1CCCN1C(=O)Cn1c(=O)[nH]c2ccccc2c1=O.Cl
InChIInChI=1S/C16H20N4O3.ClH/c1-17-9-11-5-4-8-19(11)14(21)10-20-15(22)12-6-2-3-7-13(12)18-16(20)23;/h2-3,6-7,11,17H,4-5,8-10H2,1H3,(H,18,23);1H
InChIKeyIZLWUNWQWGAQCP-UHFFFAOYSA-N
XLogP0.32
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione;hydrochloride with MolForge

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Related Compounds

3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione
CID 119651055
3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one;hydrochloride
CID 119651884
3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione
CID 138996391
1-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperidine-2-carboxylic acid
CID 119176148
3-ethyl-7-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinazoline-2,4-dione
CID 119649230
2-(1H-indol-3-yl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 115316334
1-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]quinolin-4-one;hydrochloride
CID 119650725
3-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one;hydrochloride
CID 119469480
1H-indol-3-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 115316389
3-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one
CID 119469481
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
CID 119650372
3-[2-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione
CID 154737957

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione;hydrochloride?
The IUPAC name of 3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione;hydrochloride (CID 119651054) is 3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione;hydrochloride.
What is the SMILES notation for 3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione;hydrochloride?
The canonical SMILES for 3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione;hydrochloride is CNCC1CCCN1C(=O)Cn1c(=O)[nH]c2ccccc2c1=O.Cl.
What is the InChIKey of 3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione;hydrochloride?
The InChIKey is IZLWUNWQWGAQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3.ClH/c1-17-9-11-5-4-8-19(11)14(21)10-20-15(22)12-6-2-3-7-13(12)18-16(20)23;/h2-3,6-7,11,17H,4-5,8-10H2,1H3,(H,18,23);1H.
What are the key properties of 3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione;hydrochloride?
3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione;hydrochloride has a molecular weight of 352.82 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione;hydrochloride is sourced from PubChem (CID 119651054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).