N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide

C20H24FN3O4S — CID 24562248

IUPACN-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2cc(F)ccc2c1=O)N(C1CCCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C20H24FN3O4S/c21-14-6-7-17-18(10-14)22-13-23(20(17)26)11-19(25)24(15-4-2-1-3-5-15)16-8-9-29(27,28)12-16/h6-7,10,13,15-16H,1-5,8-9,11-12H2
InChIKeyKWUMMPGOVKPDSN-UHFFFAOYSA-N
MW421.49 g/mol
LogP1.88
Rot. Bonds4

About N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide

N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide (PubChem CID 24562248) has the molecular formula C20H24FN3O4S and a molecular weight of 421.49 g/mol. Its IUPAC name is N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
PubChem CID24562248
Molecular FormulaC20H24FN3O4S
Molecular Weight421.49 g/mol
Exact Mass421.15
IUPAC NameN-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2cc(F)ccc2c1=O)N(C1CCCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C20H24FN3O4S/c21-14-6-7-17-18(10-14)22-13-23(20(17)26)11-19(25)24(15-4-2-1-3-5-15)16-8-9-29(27,28)12-16/h6-7,10,13,15-16H,1-5,8-9,11-12H2
InChIKeyKWUMMPGOVKPDSN-UHFFFAOYSA-N
XLogP1.88
TPSA89.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(7-chloro-4-oxoquinazolin-3-yl)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 42922496
N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 55390306
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(4-oxo-6-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide
CID 55496566
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 24561990
N,N-dicyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide
CID 46484188
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 7628299
[2-[cyclohexyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-fluorobenzoate
CID 7478334
3-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-7-fluoroquinazolin-4-one
CID 92799410
N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 41210926
N-[1-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide
CID 43061886
N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 36545692
N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide
CID 7703244

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide (CID 24562248) is N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide is O=C(Cn1cnc2cc(F)ccc2c1=O)N(C1CCCCC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is KWUMMPGOVKPDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O4S/c21-14-6-7-17-18(10-14)22-13-23(20(17)26)11-19(25)24(15-4-2-1-3-5-15)16-8-9-29(27,28)12-16/h6-7,10,13,15-16H,1-5,8-9,11-12H2.
What are the key properties of N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide?
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 421.49 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 24562248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).