N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide

C24H26FN3O2 — CID 60571916

IUPACN-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1cccc2c(=O)n(CC(=O)NCC3(c4ccc(F)cc4)CCCCC3)cnc12
InChIInChI=1S/C24H26FN3O2/c1-17-6-5-7-20-22(17)27-16-28(23(20)30)14-21(29)26-15-24(12-3-2-4-13-24)18-8-10-19(25)11-9-18/h5-11,16H,2-4,12-15H2,1H3,(H,26,29)
InChIKeyOATFHLXOQCWYBA-UHFFFAOYSA-N
MW407.49 g/mol
LogP3.86
Rot. Bonds5

About N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide

N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 60571916) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID60571916
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC NameN-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1cccc2c(=O)n(CC(=O)NCC3(c4ccc(F)cc4)CCCCC3)cnc12
InChIInChI=1S/C24H26FN3O2/c1-17-6-5-7-20-22(17)27-16-28(23(20)30)14-21(29)26-15-24(12-3-2-4-13-24)18-8-10-19(25)11-9-18/h5-11,16H,2-4,12-15H2,1H3,(H,26,29)
InChIKeyOATFHLXOQCWYBA-UHFFFAOYSA-N
XLogP3.86
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 42408512
N-(1-cyanocycloheptyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 60512610
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(1-phenylcyclobutyl)acetamide
CID 51273261
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-2-piperidin-1-ylpropyl)acetamide
CID 17394856
2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60544932
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
CID 52507049
N'-(2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetohydrazide
CID 150829256
1-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]cyclohexane-1-carboxylic acid
CID 71942414
N-(5-chloro-2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51265002
N-[2-(azepan-1-yl)phenyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 24660519
[2-(cyclooctylamino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 27938357
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-pentan-2-yl]acetamide
CID 41103569

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide (CID 60571916) is N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide is Cc1cccc2c(=O)n(CC(=O)NCC3(c4ccc(F)cc4)CCCCC3)cnc12.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is OATFHLXOQCWYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2/c1-17-6-5-7-20-22(17)27-16-28(23(20)30)14-21(29)26-15-24(12-3-2-4-13-24)18-8-10-19(25)11-9-18/h5-11,16H,2-4,12-15H2,1H3,(H,26,29).
What are the key properties of N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 407.49 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 60571916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).