N-(2-cyclohexyl-4-oxoquinazolin-3-yl)-2-(3-fluorophenyl)acetamide

C22H22FN3O2 — CID 70838371

IUPACN-(2-cyclohexyl-4-oxoquinazolin-3-yl)-2-(3-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)Nn1c(C2CCCCC2)nc2ccccc2c1=O
InChIInChI=1S/C22H22FN3O2/c23-17-10-6-7-15(13-17)14-20(27)25-26-21(16-8-2-1-3-9-16)24-19-12-5-4-11-18(19)22(26)28/h4-7,10-13,16H,1-3,8-9,14H2,(H,25,27)
InChIKeyJLYZXBOCNPKLGH-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.90
Rot. Bonds4

About N-(2-cyclohexyl-4-oxoquinazolin-3-yl)-2-(3-fluorophenyl)acetamide

N-(2-cyclohexyl-4-oxoquinazolin-3-yl)-2-(3-fluorophenyl)acetamide (PubChem CID 70838371) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is N-(2-cyclohexyl-4-oxoquinazolin-3-yl)-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-4-oxoquinazolin-3-yl)-2-(3-fluorophenyl)acetamide
PubChem CID70838371
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC NameN-(2-cyclohexyl-4-oxoquinazolin-3-yl)-2-(3-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)Nn1c(C2CCCCC2)nc2ccccc2c1=O
InChIInChI=1S/C22H22FN3O2/c23-17-10-6-7-15(13-17)14-20(27)25-26-21(16-8-2-1-3-9-16)24-19-12-5-4-11-18(19)22(26)28/h4-7,10-13,16H,1-3,8-9,14H2,(H,25,27)
InChIKeyJLYZXBOCNPKLGH-UHFFFAOYSA-N
XLogP3.90
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cycloheptyl-N-(2-cyclohexyl-4-oxoquinazolin-3-yl)acetamide
CID 70838370
1-benzyl-3-(2-cyclohexyl-4-oxoquinazolin-3-yl)urea
CID 70838562
N-(2-cyclopropyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(3,5-difluorophenyl)acetamide
CID 71197546
N-(2-cyclohexyl-4-oxoquinazolin-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 23988003
3-(3-fluorophenyl)-N-(4-oxo-2-pyrrolidin-1-ylquinazolin-3-yl)propanamide
CID 46195575
4-tert-butyl-N-(2-cyclohexyl-4-oxoquinazolin-3-yl)benzamide
CID 23762494
N-[2-cyclopropyl-4-oxo-7-(trifluoromethyl)quinazolin-3-yl]-2-(3,5-difluorophenyl)acetamide
CID 11281665
N-(2-ethyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(3-fluorophenyl)acetamide
CID 70838611
N-[2-(cyclopropylmethyl)-7-fluoro-4-oxoquinazolin-3-yl]-2-phenylacetamide
CID 70838398
2-(3,5-difluorophenyl)-N-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 70838580
N-(2-cyclobutyl-4-oxoquinazolin-3-yl)pyridine-3-carboxamide
CID 43816389
N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-2-(3-fluorophenyl)acetamide
CID 110786170

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-4-oxoquinazolin-3-yl)-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-(2-cyclohexyl-4-oxoquinazolin-3-yl)-2-(3-fluorophenyl)acetamide (CID 70838371) is N-(2-cyclohexyl-4-oxoquinazolin-3-yl)-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-(2-cyclohexyl-4-oxoquinazolin-3-yl)-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-(2-cyclohexyl-4-oxoquinazolin-3-yl)-2-(3-fluorophenyl)acetamide is O=C(Cc1cccc(F)c1)Nn1c(C2CCCCC2)nc2ccccc2c1=O.
What is the InChIKey of N-(2-cyclohexyl-4-oxoquinazolin-3-yl)-2-(3-fluorophenyl)acetamide?
The InChIKey is JLYZXBOCNPKLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c23-17-10-6-7-15(13-17)14-20(27)25-26-21(16-8-2-1-3-9-16)24-19-12-5-4-11-18(19)22(26)28/h4-7,10-13,16H,1-3,8-9,14H2,(H,25,27).
What are the key properties of N-(2-cyclohexyl-4-oxoquinazolin-3-yl)-2-(3-fluorophenyl)acetamide?
N-(2-cyclohexyl-4-oxoquinazolin-3-yl)-2-(3-fluorophenyl)acetamide has a molecular weight of 379.44 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-4-oxoquinazolin-3-yl)-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 70838371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).