3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-quinazoline-2,4-dione

C16H17N3O2S — CID 39143122

IUPAC3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-quinazoline-2,4-dione
SMILESCN(C)[C@H](Cn1c(=O)[nH]c2ccccc2c1=O)c1cccs1
InChIInChI=1S/C16H17N3O2S/c1-18(2)13(14-8-5-9-22-14)10-19-15(20)11-6-3-4-7-12(11)17-16(19)21/h3-9,13H,10H2,1-2H3,(H,17,21)/t13-/m1/s1
InChIKeyHQNCTZOJPAVGJJ-CYBMUJFWSA-N
MW315.40 g/mol
LogP2.05
Rot. Bonds4

About 3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-quinazoline-2,4-dione

3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-quinazoline-2,4-dione (PubChem CID 39143122) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-quinazoline-2,4-dione
PubChem CID39143122
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-quinazoline-2,4-dione
SMILESCN(C)[C@H](Cn1c(=O)[nH]c2ccccc2c1=O)c1cccs1
InChIInChI=1S/C16H17N3O2S/c1-18(2)13(14-8-5-9-22-14)10-19-15(20)11-6-3-4-7-12(11)17-16(19)21/h3-9,13H,10H2,1-2H3,(H,17,21)/t13-/m1/s1
InChIKeyHQNCTZOJPAVGJJ-CYBMUJFWSA-N
XLogP2.05
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-quinazoline-2,4-dione
CID 42956973
3-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1H-quinazoline-2,4-dione
CID 30804945
3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1H-quinazoline-2,4-dione
CID 42956974
3-(dimethylamino)-1H-quinazoline-2,4-dione
CID 3058904
3-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-1H-quinazoline-2,4-dione
CID 95276091
3-(2,2,3-trimethylbutyl)-1H-quinazoline-2,4-dione
CID 69471578
3-(3-chlorobutyl)-1H-quinazoline-2,4-dione
CID 118691448
3-(2-methylsulfanylethyl)-1H-quinazoline-2,4-dione
CID 15165577
3-ethyl-2,4-dioxo-N-[(1R)-1-thiophen-2-ylethyl]-1H-quinazoline-7-carboxamide
CID 94132682
3-[2-[2-(2,4-dioxo-1H-quinazolin-3-yl)ethyldisulfanyl]ethyl]-1H-quinazoline-2,4-dione
CID 10411093
2-[[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3H-quinazolin-4-one
CID 136747967
3-(2-morpholin-4-yl-2-phenylethyl)-1H-quinazoline-2,4-dione
CID 42955495

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-quinazoline-2,4-dione (CID 39143122) is 3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-quinazoline-2,4-dione is CN(C)[C@H](Cn1c(=O)[nH]c2ccccc2c1=O)c1cccs1.
What is the InChIKey of 3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-quinazoline-2,4-dione?
The InChIKey is HQNCTZOJPAVGJJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-18(2)13(14-8-5-9-22-14)10-19-15(20)11-6-3-4-7-12(11)17-16(19)21/h3-9,13H,10H2,1-2H3,(H,17,21)/t13-/m1/s1.
What are the key properties of 3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-quinazoline-2,4-dione?
3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-quinazoline-2,4-dione has a molecular weight of 315.40 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 39143122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).