(2E,4Z)-4-fluoro-N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienamide

C25H33FN2O2 — CID 22843999

IUPAC(2E,4Z)-4-fluoro-N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienamide
SMILESCC(C)CNC(=O)/C=C/C(F)=C/CCCCCCCOc1ccc2ccccc2n1
InChIInChI=1S/C25H33FN2O2/c1-20(2)19-27-24(29)16-15-22(26)12-7-5-3-4-6-10-18-30-25-17-14-21-11-8-9-13-23(21)28-25/h8-9,11-17,20H,3-7,10,18-19H2,1-2H3,(H,27,29)/b16-15+,22-12-
InChIKeyLWVULCNJVQLNAB-DQXZJOGVSA-N
MW412.55 g/mol
LogP6.14
Rot. Bonds13

About (2E,4Z)-4-fluoro-N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienamide

(2E,4Z)-4-fluoro-N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienamide (PubChem CID 22843999) has the molecular formula C25H33FN2O2 and a molecular weight of 412.55 g/mol. Its IUPAC name is (2E,4Z)-4-fluoro-N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienamide.

Molecular Properties

Compound Name(2E,4Z)-4-fluoro-N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienamide
PubChem CID22843999
Molecular FormulaC25H33FN2O2
Molecular Weight412.55 g/mol
Exact Mass412.25
IUPAC Name(2E,4Z)-4-fluoro-N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienamide
SMILESCC(C)CNC(=O)/C=C/C(F)=C/CCCCCCCOc1ccc2ccccc2n1
InChIInChI=1S/C25H33FN2O2/c1-20(2)19-27-24(29)16-15-22(26)12-7-5-3-4-6-10-18-30-25-17-14-21-11-8-9-13-23(21)28-25/h8-9,11-17,20H,3-7,10,18-19H2,1-2H3,(H,27,29)/b16-15+,22-12-
InChIKeyLWVULCNJVQLNAB-DQXZJOGVSA-N
XLogP6.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.55
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2,4-difluoro-N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienamide
CID 54230906
(2E,4E)-N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienamide
CID 19898632
methyl (2Z,4Z)-2,4-difluoro-12-quinolin-2-yloxydodeca-2,4-dienoate
CID 86745843
(Z)-3-fluoro-11-quinolin-2-yloxyundec-3-en-2-ol
CID 67804160
N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienethioamide
CID 54155202
8-quinolin-2-yloxyoctanal
CID 19898648
(2E,4E)-N-(2-methylpropyl)-11-naphthalen-1-yloxyundeca-2,4-dienamide
CID 88665225
(2E,4E)-12-(2-chloropyrimidin-4-yl)oxy-N-(2-methylpropyl)dodeca-2,4-dienamide
CID 18946531
11-quinolin-2-yloxyundecan-2-one
CID 19898708
3-methyl-12-quinolin-2-yloxydodeca-2,4-dienamide
CID 57001868
(2E,4E)-3-methyl-N-(2-methylpropyl)-12-[4-(trifluoromethyl)quinolin-2-yl]oxydodeca-2,4-dienamide
CID 19898627
(2E,4E)-9-(7-fluoronaphthalen-1-yl)oxy-N-(2-methylpropyl)nona-2,4-dienamide
CID 88665419

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-4-fluoro-N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienamide?
The IUPAC name of (2E,4Z)-4-fluoro-N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienamide (CID 22843999) is (2E,4Z)-4-fluoro-N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienamide.
What is the SMILES notation for (2E,4Z)-4-fluoro-N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienamide?
The canonical SMILES for (2E,4Z)-4-fluoro-N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienamide is CC(C)CNC(=O)/C=C/C(F)=C/CCCCCCCOc1ccc2ccccc2n1.
What is the InChIKey of (2E,4Z)-4-fluoro-N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienamide?
The InChIKey is LWVULCNJVQLNAB-DQXZJOGVSA-N. The full InChI is InChI=1S/C25H33FN2O2/c1-20(2)19-27-24(29)16-15-22(26)12-7-5-3-4-6-10-18-30-25-17-14-21-11-8-9-13-23(21)28-25/h8-9,11-17,20H,3-7,10,18-19H2,1-2H3,(H,27,29)/b16-15+,22-12-.
What are the key properties of (2E,4Z)-4-fluoro-N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienamide?
(2E,4Z)-4-fluoro-N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienamide has a molecular weight of 412.55 g/mol, XLogP of 6.14, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-4-fluoro-N-(2-methylpropyl)-12-quinolin-2-yloxydodeca-2,4-dienamide is sourced from PubChem (CID 22843999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).