N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide

C16H19N3O4S — CID 7628299

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCCN(C(=O)Cn1cnc2ccccc2c1=O)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C16H19N3O4S/c1-2-19(12-7-8-24(22,23)10-12)15(20)9-18-11-17-14-6-4-3-5-13(14)16(18)21/h3-6,11-12H,2,7-10H2,1H3/t12-/m1/s1
InChIKeyRHRIXKXRVSLRSR-GFCCVEGCSA-N
MW349.41 g/mol
LogP0.43
Rot. Bonds4

About N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide

N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 7628299) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID7628299
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCCN(C(=O)Cn1cnc2ccccc2c1=O)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C16H19N3O4S/c1-2-19(12-7-8-24(22,23)10-12)15(20)9-18-11-17-14-6-4-3-5-13(14)16(18)21/h3-6,11-12H,2,7-10H2,1H3/t12-/m1/s1
InChIKeyRHRIXKXRVSLRSR-GFCCVEGCSA-N
XLogP0.43
TPSA89.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 84993885
3-[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 3937702
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 9329765
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 41166002
2-(7-bromo-4-oxoquinazolin-3-yl)-N-cyclopropyl-N-ethylacetamide
CID 78961116
N-cyclopropyl-2-(4-oxoquinazolin-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 35753654
2-(7-chloro-4-oxoquinazolin-3-yl)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 42922496
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 7735859
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 24562248
N-benzyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 41083335
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-naphthalen-1-yloxyacetamide
CID 7851016
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-4-oxo-3-propylphthalazine-1-carboxamide
CID 9441718

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide (CID 7628299) is N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide is CCN(C(=O)Cn1cnc2ccccc2c1=O)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is RHRIXKXRVSLRSR-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-2-19(12-7-8-24(22,23)10-12)15(20)9-18-11-17-14-6-4-3-5-13(14)16(18)21/h3-6,11-12H,2,7-10H2,1H3/t12-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 349.41 g/mol, XLogP of 0.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 7628299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).