4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]benzenecarboximidamide

C23H20F3N3 — CID 143907440

IUPAC4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCCc3cc(-c4ccc(C(F)(F)F)cc4)ccc32)cc1
InChIInChI=1S/C23H20F3N3/c24-23(25,26)19-8-3-15(4-9-19)17-7-12-21-18(14-17)2-1-13-29(21)20-10-5-16(6-11-20)22(27)28/h3-12,14H,1-2,13H2,(H3,27,28)
InChIKeyHONXGSWGFICGAK-UHFFFAOYSA-N
MW395.43 g/mol
LogP5.74
Rot. Bonds3

About 4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]benzenecarboximidamide

4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]benzenecarboximidamide (PubChem CID 143907440) has the molecular formula C23H20F3N3 and a molecular weight of 395.43 g/mol. Its IUPAC name is 4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]benzenecarboximidamide
PubChem CID143907440
Molecular FormulaC23H20F3N3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCCc3cc(-c4ccc(C(F)(F)F)cc4)ccc32)cc1
InChIInChI=1S/C23H20F3N3/c24-23(25,26)19-8-3-15(4-9-19)17-7-12-21-18(14-17)2-1-13-29(21)20-10-5-16(6-11-20)22(27)28/h3-12,14H,1-2,13H2,(H3,27,28)
InChIKeyHONXGSWGFICGAK-UHFFFAOYSA-N
XLogP5.74
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.43
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-phenylphenyl)-1-[3-(1-piperidyl)propyl]-7-(trifluoromethyl)quinolin-4-imine
CID 72703484
N-(4-phenylphenyl)-1-[3-(1-piperidyl)propyl]-6-(trifluoromethyl)quinolin-4-imine
CID 72703699
6-(2,3,6-trifluorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
CID 10111164
6-[3-(trifluoromethyl)phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
CID 10136073
6-(2,5-difluorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
CID 10156302
6-(3,4-difluorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
CID 10177475
6-(2,4-difluorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
CID 10199468
6-[4-(trifluoromethyl)phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
CID 10223084
6-(2,3-difluorophenyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
CID 10270819
6-[3-(Trifluoromethyl)phenyl]-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide
CID 10295716
6-[4-(Trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline
CID 12001117
6-[4-fluoro-2-(trifluoromethyl)phenyl]-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinoline-2-carboximidamide
CID 22633154

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]benzenecarboximidamide?
The IUPAC name of 4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]benzenecarboximidamide (CID 143907440) is 4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]benzenecarboximidamide.
What is the SMILES notation for 4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]benzenecarboximidamide?
The canonical SMILES for 4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CCCc3cc(-c4ccc(C(F)(F)F)cc4)ccc32)cc1.
What is the InChIKey of 4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]benzenecarboximidamide?
The InChIKey is HONXGSWGFICGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3/c24-23(25,26)19-8-3-15(4-9-19)17-7-12-21-18(14-17)2-1-13-29(21)20-10-5-16(6-11-20)22(27)28/h3-12,14H,1-2,13H2,(H3,27,28).
What are the key properties of 4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]benzenecarboximidamide?
4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]benzenecarboximidamide has a molecular weight of 395.43 g/mol, XLogP of 5.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]benzenecarboximidamide is sourced from PubChem (CID 143907440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).