(2Z,4Z,7Z)-7-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)-2-(methoxymethyl)-3-methyl-5-(methylamino)octa-2,4-dienal

C23H31FN2O2 — CID 170034203

IUPAC(2Z,4Z,7Z)-7-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)-2-(methoxymethyl)-3-methyl-5-(methylamino)octa-2,4-dienal
SMILESCN/C(=C\C(C)=C(/C=O)COC)C/C(C)=C1/CCCc2c(C)c(F)cc(N)c21
InChIInChI=1S/C23H31FN2O2/c1-14(17(12-27)13-28-5)9-18(26-4)10-15(2)19-7-6-8-20-16(3)21(24)11-22(25)23(19)20/h9,11-12,26H,6-8,10,13,25H2,1-5H3/b17-14+,18-9-,19-15-
InChIKeyJXEPPHGHJUIWII-VKFKQRBVSA-N
MW386.51 g/mol
LogP4.48
Rot. Bonds7

About (2Z,4Z,7Z)-7-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)-2-(methoxymethyl)-3-methyl-5-(methylamino)octa-2,4-dienal

(2Z,4Z,7Z)-7-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)-2-(methoxymethyl)-3-methyl-5-(methylamino)octa-2,4-dienal (PubChem CID 170034203) has the molecular formula C23H31FN2O2 and a molecular weight of 386.51 g/mol. Its IUPAC name is (2Z,4Z,7Z)-7-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)-2-(methoxymethyl)-3-methyl-5-(methylamino)octa-2,4-dienal.

Molecular Properties

Compound Name(2Z,4Z,7Z)-7-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)-2-(methoxymethyl)-3-methyl-5-(methylamino)octa-2,4-dienal
PubChem CID170034203
Molecular FormulaC23H31FN2O2
Molecular Weight386.51 g/mol
Exact Mass386.24
IUPAC Name(2Z,4Z,7Z)-7-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)-2-(methoxymethyl)-3-methyl-5-(methylamino)octa-2,4-dienal
SMILESCN/C(=C\C(C)=C(/C=O)COC)C/C(C)=C1/CCCc2c(C)c(F)cc(N)c21
InChIInChI=1S/C23H31FN2O2/c1-14(17(12-27)13-28-5)9-18(26-4)10-15(2)19-7-6-8-20-16(3)21(24)11-22(25)23(19)20/h9,11-12,26H,6-8,10,13,25H2,1-5H3/b17-14+,18-9-,19-15-
InChIKeyJXEPPHGHJUIWII-VKFKQRBVSA-N
XLogP4.48
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.51
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2Z,4Z,7Z)-7-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)-2-(methoxymethyl)-3-methyl-5-(methylamino)octa-2,4-dienal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,7Z)-7-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)-2-(methoxymethyl)-3-methyl-5-(methylamino)octa-2,4-dienal?
The IUPAC name of (2Z,4Z,7Z)-7-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)-2-(methoxymethyl)-3-methyl-5-(methylamino)octa-2,4-dienal (CID 170034203) is (2Z,4Z,7Z)-7-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)-2-(methoxymethyl)-3-methyl-5-(methylamino)octa-2,4-dienal.
What is the SMILES notation for (2Z,4Z,7Z)-7-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)-2-(methoxymethyl)-3-methyl-5-(methylamino)octa-2,4-dienal?
The canonical SMILES for (2Z,4Z,7Z)-7-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)-2-(methoxymethyl)-3-methyl-5-(methylamino)octa-2,4-dienal is CN/C(=C\C(C)=C(/C=O)COC)C/C(C)=C1/CCCc2c(C)c(F)cc(N)c21.
What is the InChIKey of (2Z,4Z,7Z)-7-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)-2-(methoxymethyl)-3-methyl-5-(methylamino)octa-2,4-dienal?
The InChIKey is JXEPPHGHJUIWII-VKFKQRBVSA-N. The full InChI is InChI=1S/C23H31FN2O2/c1-14(17(12-27)13-28-5)9-18(26-4)10-15(2)19-7-6-8-20-16(3)21(24)11-22(25)23(19)20/h9,11-12,26H,6-8,10,13,25H2,1-5H3/b17-14+,18-9-,19-15-.
What are the key properties of (2Z,4Z,7Z)-7-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)-2-(methoxymethyl)-3-methyl-5-(methylamino)octa-2,4-dienal?
(2Z,4Z,7Z)-7-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)-2-(methoxymethyl)-3-methyl-5-(methylamino)octa-2,4-dienal has a molecular weight of 386.51 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,7Z)-7-(8-amino-6-fluoro-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)-2-(methoxymethyl)-3-methyl-5-(methylamino)octa-2,4-dienal is sourced from PubChem (CID 170034203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).