N-(4-fluorocyclohexa-1,5-dien-1-yl)-2-(4-quinolin-3-ylcyclohexyl)acetamide

C23H25FN2O — CID 163747174

IUPACN-(4-fluorocyclohexa-1,5-dien-1-yl)-2-(4-quinolin-3-ylcyclohexyl)acetamide
SMILESO=C(CC1CCC(c2cnc3ccccc3c2)CC1)NC1=CCC(F)C=C1
InChIInChI=1S/C23H25FN2O/c24-20-9-11-21(12-10-20)26-23(27)13-16-5-7-17(8-6-16)19-14-18-3-1-2-4-22(18)25-15-19/h1-4,9,11-12,14-17,20H,5-8,10,13H2,(H,26,27)
InChIKeyLMWBNDYFXQNNMG-UHFFFAOYSA-N
MW364.46 g/mol
LogP5.20
Rot. Bonds4

About N-(4-fluorocyclohexa-1,5-dien-1-yl)-2-(4-quinolin-3-ylcyclohexyl)acetamide

N-(4-fluorocyclohexa-1,5-dien-1-yl)-2-(4-quinolin-3-ylcyclohexyl)acetamide (PubChem CID 163747174) has the molecular formula C23H25FN2O and a molecular weight of 364.46 g/mol. Its IUPAC name is N-(4-fluorocyclohexa-1,5-dien-1-yl)-2-(4-quinolin-3-ylcyclohexyl)acetamide.

Molecular Properties

Compound NameN-(4-fluorocyclohexa-1,5-dien-1-yl)-2-(4-quinolin-3-ylcyclohexyl)acetamide
PubChem CID163747174
Molecular FormulaC23H25FN2O
Molecular Weight364.46 g/mol
Exact Mass364.20
IUPAC NameN-(4-fluorocyclohexa-1,5-dien-1-yl)-2-(4-quinolin-3-ylcyclohexyl)acetamide
SMILESO=C(CC1CCC(c2cnc3ccccc3c2)CC1)NC1=CCC(F)C=C1
InChIInChI=1S/C23H25FN2O/c24-20-9-11-21(12-10-20)26-23(27)13-16-5-7-17(8-6-16)19-14-18-3-1-2-4-22(18)25-15-19/h1-4,9,11-12,14-17,20H,5-8,10,13H2,(H,26,27)
InChIKeyLMWBNDYFXQNNMG-UHFFFAOYSA-N
XLogP5.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.46
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorocyclohexa-1,5-dien-1-yl)-2-(4-quinolin-3-ylcyclohexyl)acetamide?
The IUPAC name of N-(4-fluorocyclohexa-1,5-dien-1-yl)-2-(4-quinolin-3-ylcyclohexyl)acetamide (CID 163747174) is N-(4-fluorocyclohexa-1,5-dien-1-yl)-2-(4-quinolin-3-ylcyclohexyl)acetamide.
What is the SMILES notation for N-(4-fluorocyclohexa-1,5-dien-1-yl)-2-(4-quinolin-3-ylcyclohexyl)acetamide?
The canonical SMILES for N-(4-fluorocyclohexa-1,5-dien-1-yl)-2-(4-quinolin-3-ylcyclohexyl)acetamide is O=C(CC1CCC(c2cnc3ccccc3c2)CC1)NC1=CCC(F)C=C1.
What is the InChIKey of N-(4-fluorocyclohexa-1,5-dien-1-yl)-2-(4-quinolin-3-ylcyclohexyl)acetamide?
The InChIKey is LMWBNDYFXQNNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O/c24-20-9-11-21(12-10-20)26-23(27)13-16-5-7-17(8-6-16)19-14-18-3-1-2-4-22(18)25-15-19/h1-4,9,11-12,14-17,20H,5-8,10,13H2,(H,26,27).
What are the key properties of N-(4-fluorocyclohexa-1,5-dien-1-yl)-2-(4-quinolin-3-ylcyclohexyl)acetamide?
N-(4-fluorocyclohexa-1,5-dien-1-yl)-2-(4-quinolin-3-ylcyclohexyl)acetamide has a molecular weight of 364.46 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorocyclohexa-1,5-dien-1-yl)-2-(4-quinolin-3-ylcyclohexyl)acetamide is sourced from PubChem (CID 163747174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).