1-[3-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-6-fluoroquinolin-2-yl]ethanamine

C17H18FN3 — CID 134446011

IUPAC1-[3-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-6-fluoroquinolin-2-yl]ethanamine
SMILESC=C/C(=N\C=C/C)c1cc2cc(F)ccc2nc1C(C)N
InChIInChI=1S/C17H18FN3/c1-4-8-20-15(5-2)14-10-12-9-13(18)6-7-16(12)21-17(14)11(3)19/h4-11H,2,19H2,1,3H3/b8-4-,20-15+
InChIKeyQQAHEQWFUFFDCD-AVOUCELCSA-N
MW283.35 g/mol
LogP3.90
Rot. Bonds4

About 1-[3-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-6-fluoroquinolin-2-yl]ethanamine

1-[3-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-6-fluoroquinolin-2-yl]ethanamine (PubChem CID 134446011) has the molecular formula C17H18FN3 and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-[3-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-6-fluoroquinolin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[3-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-6-fluoroquinolin-2-yl]ethanamine
PubChem CID134446011
Molecular FormulaC17H18FN3
Molecular Weight283.35 g/mol
Exact Mass283.15
IUPAC Name1-[3-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-6-fluoroquinolin-2-yl]ethanamine
SMILESC=C/C(=N\C=C/C)c1cc2cc(F)ccc2nc1C(C)N
InChIInChI=1S/C17H18FN3/c1-4-8-20-15(5-2)14-10-12-9-13(18)6-7-16(12)21-17(14)11(3)19/h4-11H,2,19H2,1,3H3/b8-4-,20-15+
InChIKeyQQAHEQWFUFFDCD-AVOUCELCSA-N
XLogP3.90
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-6-fluoroquinolin-2-yl]ethanamine?
The IUPAC name of 1-[3-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-6-fluoroquinolin-2-yl]ethanamine (CID 134446011) is 1-[3-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-6-fluoroquinolin-2-yl]ethanamine.
What is the SMILES notation for 1-[3-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-6-fluoroquinolin-2-yl]ethanamine?
The canonical SMILES for 1-[3-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-6-fluoroquinolin-2-yl]ethanamine is C=C/C(=N\C=C/C)c1cc2cc(F)ccc2nc1C(C)N.
What is the InChIKey of 1-[3-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-6-fluoroquinolin-2-yl]ethanamine?
The InChIKey is QQAHEQWFUFFDCD-AVOUCELCSA-N. The full InChI is InChI=1S/C17H18FN3/c1-4-8-20-15(5-2)14-10-12-9-13(18)6-7-16(12)21-17(14)11(3)19/h4-11H,2,19H2,1,3H3/b8-4-,20-15+.
What are the key properties of 1-[3-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-6-fluoroquinolin-2-yl]ethanamine?
1-[3-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-6-fluoroquinolin-2-yl]ethanamine has a molecular weight of 283.35 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-6-fluoroquinolin-2-yl]ethanamine is sourced from PubChem (CID 134446011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).