4-(3-amino-4,4,4-trifluoro-1-iminobut-2-en-2-yl)-9-methanimidoyl-2,3-dihydro-1H-cyclopenta[c]quinolin-8-amine

C17H16F3N5 — CID 174085157

IUPAC4-(3-amino-4,4,4-trifluoro-1-iminobut-2-en-2-yl)-9-methanimidoyl-2,3-dihydro-1H-cyclopenta[c]quinolin-8-amine
SMILES[H]/N=C/C(=C(N)C(F)(F)F)c1nc2ccc(N)c(/C=N/[H])c2c2c1CCC2
InChIInChI=1S/C17H16F3N5/c18-17(19,20)16(24)11(7-22)15-9-3-1-2-8(9)14-10(6-21)12(23)4-5-13(14)25-15/h4-7,21-22H,1-3,23-24H2/b16-11?,21-6+,22-7+
InChIKeyFXPHNBXQALIWLH-SBPQMQQJSA-N
MW347.34 g/mol
LogP3.19
Rot. Bonds3

About 4-(3-amino-4,4,4-trifluoro-1-iminobut-2-en-2-yl)-9-methanimidoyl-2,3-dihydro-1H-cyclopenta[c]quinolin-8-amine

4-(3-amino-4,4,4-trifluoro-1-iminobut-2-en-2-yl)-9-methanimidoyl-2,3-dihydro-1H-cyclopenta[c]quinolin-8-amine (PubChem CID 174085157) has the molecular formula C17H16F3N5 and a molecular weight of 347.34 g/mol. Its IUPAC name is 4-(3-amino-4,4,4-trifluoro-1-iminobut-2-en-2-yl)-9-methanimidoyl-2,3-dihydro-1H-cyclopenta[c]quinolin-8-amine.

Molecular Properties

Compound Name4-(3-amino-4,4,4-trifluoro-1-iminobut-2-en-2-yl)-9-methanimidoyl-2,3-dihydro-1H-cyclopenta[c]quinolin-8-amine
PubChem CID174085157
Molecular FormulaC17H16F3N5
Molecular Weight347.34 g/mol
Exact Mass347.14
IUPAC Name4-(3-amino-4,4,4-trifluoro-1-iminobut-2-en-2-yl)-9-methanimidoyl-2,3-dihydro-1H-cyclopenta[c]quinolin-8-amine
SMILES[H]/N=C/C(=C(N)C(F)(F)F)c1nc2ccc(N)c(/C=N/[H])c2c2c1CCC2
InChIInChI=1S/C17H16F3N5/c18-17(19,20)16(24)11(7-22)15-9-3-1-2-8(9)14-10(6-21)12(23)4-5-13(14)25-15/h4-7,21-22H,1-3,23-24H2/b16-11?,21-6+,22-7+
InChIKeyFXPHNBXQALIWLH-SBPQMQQJSA-N
XLogP3.19
TPSA112.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 53.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(3-amino-4,4,4-trifluoro-1-iminobut-2-en-2-yl)-9-methanimidoyl-2,3-dihydro-1H-cyclopenta[c]quinolin-8-amine 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 4-(3-amino-4,4,4-trifluoro-1-iminobut-2-en-2-yl)-9-methanimidoyl-2,3-dihydro-1H-cyclopenta[c]quinolin-8-amine?
The IUPAC name of 4-(3-amino-4,4,4-trifluoro-1-iminobut-2-en-2-yl)-9-methanimidoyl-2,3-dihydro-1H-cyclopenta[c]quinolin-8-amine (CID 174085157) is 4-(3-amino-4,4,4-trifluoro-1-iminobut-2-en-2-yl)-9-methanimidoyl-2,3-dihydro-1H-cyclopenta[c]quinolin-8-amine.
What is the SMILES notation for 4-(3-amino-4,4,4-trifluoro-1-iminobut-2-en-2-yl)-9-methanimidoyl-2,3-dihydro-1H-cyclopenta[c]quinolin-8-amine?
The canonical SMILES for 4-(3-amino-4,4,4-trifluoro-1-iminobut-2-en-2-yl)-9-methanimidoyl-2,3-dihydro-1H-cyclopenta[c]quinolin-8-amine is [H]/N=C/C(=C(N)C(F)(F)F)c1nc2ccc(N)c(/C=N/[H])c2c2c1CCC2.
What is the InChIKey of 4-(3-amino-4,4,4-trifluoro-1-iminobut-2-en-2-yl)-9-methanimidoyl-2,3-dihydro-1H-cyclopenta[c]quinolin-8-amine?
The InChIKey is FXPHNBXQALIWLH-SBPQMQQJSA-N. The full InChI is InChI=1S/C17H16F3N5/c18-17(19,20)16(24)11(7-22)15-9-3-1-2-8(9)14-10(6-21)12(23)4-5-13(14)25-15/h4-7,21-22H,1-3,23-24H2/b16-11?,21-6+,22-7+.
What are the key properties of 4-(3-amino-4,4,4-trifluoro-1-iminobut-2-en-2-yl)-9-methanimidoyl-2,3-dihydro-1H-cyclopenta[c]quinolin-8-amine?
4-(3-amino-4,4,4-trifluoro-1-iminobut-2-en-2-yl)-9-methanimidoyl-2,3-dihydro-1H-cyclopenta[c]quinolin-8-amine has a molecular weight of 347.34 g/mol, XLogP of 3.19, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4,4,4-trifluoro-1-iminobut-2-en-2-yl)-9-methanimidoyl-2,3-dihydro-1H-cyclopenta[c]quinolin-8-amine is sourced from PubChem (CID 174085157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).