(4Z,6Z)-N-(8-fluoro-2-propyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-3-methylocta-4,6-dienamide

C24H28FN3O — CID 143001067

IUPAC(4Z,6Z)-N-(8-fluoro-2-propyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-3-methylocta-4,6-dienamide
SMILESC/C=C\C=C/C(C)CC(=O)Nc1nc2c(nc1CCC)-c1ccc(F)cc1CC2
InChIInChI=1S/C24H28FN3O/c1-4-6-7-9-16(3)14-22(29)28-24-21(8-5-2)26-23-19-12-11-18(25)15-17(19)10-13-20(23)27-24/h4,6-7,9,11-12,15-16H,5,8,10,13-14H2,1-3H3,(H,27,28,29)/b6-4-,9-7-
InChIKeyLOSZRAIPSMWJHW-PJPBHMPJSA-N
MW393.51 g/mol
LogP5.43
Rot. Bonds7

About (4Z,6Z)-N-(8-fluoro-2-propyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-3-methylocta-4,6-dienamide

(4Z,6Z)-N-(8-fluoro-2-propyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-3-methylocta-4,6-dienamide (PubChem CID 143001067) has the molecular formula C24H28FN3O and a molecular weight of 393.51 g/mol. Its IUPAC name is (4Z,6Z)-N-(8-fluoro-2-propyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-3-methylocta-4,6-dienamide.

Molecular Properties

Compound Name(4Z,6Z)-N-(8-fluoro-2-propyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-3-methylocta-4,6-dienamide
PubChem CID143001067
Molecular FormulaC24H28FN3O
Molecular Weight393.51 g/mol
Exact Mass393.22
IUPAC Name(4Z,6Z)-N-(8-fluoro-2-propyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-3-methylocta-4,6-dienamide
SMILESC/C=C\C=C/C(C)CC(=O)Nc1nc2c(nc1CCC)-c1ccc(F)cc1CC2
InChIInChI=1S/C24H28FN3O/c1-4-6-7-9-16(3)14-22(29)28-24-21(8-5-2)26-23-19-12-11-18(25)15-17(19)10-13-20(23)27-24/h4,6-7,9,11-12,15-16H,5,8,10,13-14H2,1-3H3,(H,27,28,29)/b6-4-,9-7-
InChIKeyLOSZRAIPSMWJHW-PJPBHMPJSA-N
XLogP5.43
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.51
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-N-(8-fluoro-2-propyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-3-methylocta-4,6-dienamide?
The IUPAC name of (4Z,6Z)-N-(8-fluoro-2-propyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-3-methylocta-4,6-dienamide (CID 143001067) is (4Z,6Z)-N-(8-fluoro-2-propyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-3-methylocta-4,6-dienamide.
What is the SMILES notation for (4Z,6Z)-N-(8-fluoro-2-propyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-3-methylocta-4,6-dienamide?
The canonical SMILES for (4Z,6Z)-N-(8-fluoro-2-propyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-3-methylocta-4,6-dienamide is C/C=C\C=C/C(C)CC(=O)Nc1nc2c(nc1CCC)-c1ccc(F)cc1CC2.
What is the InChIKey of (4Z,6Z)-N-(8-fluoro-2-propyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-3-methylocta-4,6-dienamide?
The InChIKey is LOSZRAIPSMWJHW-PJPBHMPJSA-N. The full InChI is InChI=1S/C24H28FN3O/c1-4-6-7-9-16(3)14-22(29)28-24-21(8-5-2)26-23-19-12-11-18(25)15-17(19)10-13-20(23)27-24/h4,6-7,9,11-12,15-16H,5,8,10,13-14H2,1-3H3,(H,27,28,29)/b6-4-,9-7-.
What are the key properties of (4Z,6Z)-N-(8-fluoro-2-propyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-3-methylocta-4,6-dienamide?
(4Z,6Z)-N-(8-fluoro-2-propyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-3-methylocta-4,6-dienamide has a molecular weight of 393.51 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-N-(8-fluoro-2-propyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-3-methylocta-4,6-dienamide is sourced from PubChem (CID 143001067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).