6-methoxy-N-[2-[(Z)-prop-1-enoxy]prop-2-enyl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide

C24H25F3N2O3 — CID 169199917

IUPAC6-methoxy-N-[2-[(Z)-prop-1-enoxy]prop-2-enyl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide
SMILESC=C(CNC(=O)c1cnc2c(C3=CCC(C(F)(F)F)CC3)cc(OC)cc2c1)O/C=C\C
InChIInChI=1S/C24H25F3N2O3/c1-4-9-32-15(2)13-29-23(30)18-10-17-11-20(31-3)12-21(22(17)28-14-18)16-5-7-19(8-6-16)24(25,26)27/h4-5,9-12,14,19H,2,6-8,13H2,1,3H3,(H,29,30)/b9-4-
InChIKeyUCDKOXSNCBEAHL-WTKPLQERSA-N
MW446.47 g/mol
LogP5.78
Rot. Bonds7

About 6-methoxy-N-[2-[(Z)-prop-1-enoxy]prop-2-enyl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide

6-methoxy-N-[2-[(Z)-prop-1-enoxy]prop-2-enyl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide (PubChem CID 169199917) has the molecular formula C24H25F3N2O3 and a molecular weight of 446.47 g/mol. Its IUPAC name is 6-methoxy-N-[2-[(Z)-prop-1-enoxy]prop-2-enyl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[2-[(Z)-prop-1-enoxy]prop-2-enyl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide
PubChem CID169199917
Molecular FormulaC24H25F3N2O3
Molecular Weight446.47 g/mol
Exact Mass446.18
IUPAC Name6-methoxy-N-[2-[(Z)-prop-1-enoxy]prop-2-enyl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide
SMILESC=C(CNC(=O)c1cnc2c(C3=CCC(C(F)(F)F)CC3)cc(OC)cc2c1)O/C=C\C
InChIInChI=1S/C24H25F3N2O3/c1-4-9-32-15(2)13-29-23(30)18-10-17-11-20(31-3)12-21(22(17)28-14-18)16-5-7-19(8-6-16)24(25,26)27/h4-5,9-12,14,19H,2,6-8,13H2,1,3H3,(H,29,30)/b9-4-
InChIKeyUCDKOXSNCBEAHL-WTKPLQERSA-N
XLogP5.78
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.47
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[2-[(Z)-prop-1-enoxy]prop-2-enyl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide?
The IUPAC name of 6-methoxy-N-[2-[(Z)-prop-1-enoxy]prop-2-enyl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide (CID 169199917) is 6-methoxy-N-[2-[(Z)-prop-1-enoxy]prop-2-enyl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[2-[(Z)-prop-1-enoxy]prop-2-enyl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[2-[(Z)-prop-1-enoxy]prop-2-enyl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide is C=C(CNC(=O)c1cnc2c(C3=CCC(C(F)(F)F)CC3)cc(OC)cc2c1)O/C=C\C.
What is the InChIKey of 6-methoxy-N-[2-[(Z)-prop-1-enoxy]prop-2-enyl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide?
The InChIKey is UCDKOXSNCBEAHL-WTKPLQERSA-N. The full InChI is InChI=1S/C24H25F3N2O3/c1-4-9-32-15(2)13-29-23(30)18-10-17-11-20(31-3)12-21(22(17)28-14-18)16-5-7-19(8-6-16)24(25,26)27/h4-5,9-12,14,19H,2,6-8,13H2,1,3H3,(H,29,30)/b9-4-.
What are the key properties of 6-methoxy-N-[2-[(Z)-prop-1-enoxy]prop-2-enyl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide?
6-methoxy-N-[2-[(Z)-prop-1-enoxy]prop-2-enyl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide has a molecular weight of 446.47 g/mol, XLogP of 5.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[2-[(Z)-prop-1-enoxy]prop-2-enyl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide is sourced from PubChem (CID 169199917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).