N-[(Z)-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylideneamino]pyridine-4-carboxamide

C21H23FN4O — CID 50867469

IUPACN-[(Z)-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylideneamino]pyridine-4-carboxamide
SMILESCCN1c2cc(F)c(/C=N\NC(=O)c3ccncc3)cc2C(C)=CC1(C)C
InChIInChI=1S/C21H23FN4O/c1-5-26-19-11-18(22)16(10-17(19)14(2)12-21(26,3)4)13-24-25-20(27)15-6-8-23-9-7-15/h6-13H,5H2,1-4H3,(H,25,27)/b24-13-
InChIKeyGAVVONPLWPWENE-CFRMEGHHSA-N
MW366.44 g/mol
LogP4.01
Rot. Bonds4

About N-[(Z)-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylideneamino]pyridine-4-carboxamide

N-[(Z)-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylideneamino]pyridine-4-carboxamide (PubChem CID 50867469) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[(Z)-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylideneamino]pyridine-4-carboxamide
PubChem CID50867469
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC NameN-[(Z)-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylideneamino]pyridine-4-carboxamide
SMILESCCN1c2cc(F)c(/C=N\NC(=O)c3ccncc3)cc2C(C)=CC1(C)C
InChIInChI=1S/C21H23FN4O/c1-5-26-19-11-18(22)16(10-17(19)14(2)12-21(26,3)4)13-24-25-20(27)15-6-8-23-9-7-15/h6-13H,5H2,1-4H3,(H,25,27)/b24-13-
InChIKeyGAVVONPLWPWENE-CFRMEGHHSA-N
XLogP4.01
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylideneamino]benzamide
CID 50867527
N-[(E)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]pyridine-4-carboxamide
CID 133170834
N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-4-hydroxybenzamide
CID 50869212
1-[(E)-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-(2-methoxyphenyl)urea
CID 50867343
3,5-dibromo-N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-4-hydroxybenzamide
CID 50869480
4-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]benzamide
CID 50866734
1-[(E)-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-phenylthiourea
CID 50867465
N-[(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylidene]hydroxylamine
CID 50867471
N-[(Z)-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-4-nitrobenzamide
CID 50866862
N-[(E)-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-(3-methoxyphenyl)acetamide
CID 50867457
N-[(E)-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-(4-methoxyphenyl)sulfanylacetamide
CID 50867546
N-[(E)-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]pyridine-2-carboxamide
CID 133170086

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(Z)-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylideneamino]pyridine-4-carboxamide (CID 50867469) is N-[(Z)-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(Z)-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(Z)-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylideneamino]pyridine-4-carboxamide is CCN1c2cc(F)c(/C=N\NC(=O)c3ccncc3)cc2C(C)=CC1(C)C.
What is the InChIKey of N-[(Z)-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is GAVVONPLWPWENE-CFRMEGHHSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-5-26-19-11-18(22)16(10-17(19)14(2)12-21(26,3)4)13-24-25-20(27)15-6-8-23-9-7-15/h6-13H,5H2,1-4H3,(H,25,27)/b24-13-.
What are the key properties of N-[(Z)-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylideneamino]pyridine-4-carboxamide?
N-[(Z)-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 50867469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).