2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide

C19H21N3O3S — CID 31683892

IUPAC2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)N(C)[C@H](C)c2cccs2)c1=O
InChIInChI=1S/C19H21N3O3S/c1-4-21-18(24)14-8-5-6-9-15(14)22(19(21)25)12-17(23)20(3)13(2)16-10-7-11-26-16/h5-11,13H,4,12H2,1-3H3/t13-/m1/s1
InChIKeyHMEANDNLFMWXGV-CYBMUJFWSA-N
MW371.46 g/mol
LogP2.46
Rot. Bonds5

About 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide

2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide (PubChem CID 31683892) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide
PubChem CID31683892
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)N(C)[C@H](C)c2cccs2)c1=O
InChIInChI=1S/C19H21N3O3S/c1-4-21-18(24)14-8-5-6-9-15(14)22(19(21)25)12-17(23)20(3)13(2)16-10-7-11-26-16/h5-11,13H,4,12H2,1-3H3/t13-/m1/s1
InChIKeyHMEANDNLFMWXGV-CYBMUJFWSA-N
XLogP2.46
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide (CID 31683892) is 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide is CCn1c(=O)c2ccccc2n(CC(=O)N(C)[C@H](C)c2cccs2)c1=O.
What is the InChIKey of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
The InChIKey is HMEANDNLFMWXGV-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-4-21-18(24)14-8-5-6-9-15(14)22(19(21)25)12-17(23)20(3)13(2)16-10-7-11-26-16/h5-11,13H,4,12H2,1-3H3/t13-/m1/s1.
What are the key properties of 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide has a molecular weight of 371.46 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 31683892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).