6-[[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methylamino]naphthalene-2-carboxylic acid

C28H19F3N2O2 — CID 25224643

IUPAC6-[[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methylamino]naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2cc(NCc3cccc(-c4ccnc5c(C(F)(F)F)cccc45)c3)ccc2c1
InChIInChI=1S/C28H19F3N2O2/c29-28(30,31)25-6-2-5-24-23(11-12-32-26(24)25)20-4-1-3-17(13-20)16-33-22-10-9-18-14-21(27(34)35)8-7-19(18)15-22/h1-15,33H,16H2,(H,34,35)
InChIKeyNDIOIQDCXUDCRD-UHFFFAOYSA-N
MW472.47 g/mol
LogP7.38
Rot. Bonds5

About 6-[[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methylamino]naphthalene-2-carboxylic acid

6-[[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methylamino]naphthalene-2-carboxylic acid (PubChem CID 25224643) has the molecular formula C28H19F3N2O2 and a molecular weight of 472.47 g/mol. Its IUPAC name is 6-[[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methylamino]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-[[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methylamino]naphthalene-2-carboxylic acid
PubChem CID25224643
Molecular FormulaC28H19F3N2O2
Molecular Weight472.47 g/mol
Exact Mass472.14
IUPAC Name6-[[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methylamino]naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2cc(NCc3cccc(-c4ccnc5c(C(F)(F)F)cccc45)c3)ccc2c1
InChIInChI=1S/C28H19F3N2O2/c29-28(30,31)25-6-2-5-24-23(11-12-32-26(24)25)20-4-1-3-17(13-20)16-33-22-10-9-18-14-21(27(34)35)8-7-19(18)15-22/h1-15,33H,16H2,(H,34,35)
InChIKeyNDIOIQDCXUDCRD-UHFFFAOYSA-N
XLogP7.38
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.47
LogP ≤ 57.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methylamino]naphthalen-1-yl]acetic acid
CID 25225379
[4-[[3-[8-(trifluoromethyl)quinolin-4-yl]anilino]methyl]phenyl]methanol
CID 174518736
N-[(3-nitrophenyl)methyl]-3-[8-(trifluoromethyl)quinolin-4-yl]aniline
CID 174518806
N-[(4-propan-2-ylphenyl)methyl]-3-[8-(trifluoromethyl)quinolin-4-yl]aniline
CID 174504635
N-ethyl-3-[8-(trifluoromethyl)quinolin-4-yl]aniline
CID 174518869
2-(aminomethyl)-N-[[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methyl]aniline
CID 174518717
N-[(2-fluorophenyl)methyl]-3-[8-(trifluoromethyl)quinolin-4-yl]aniline
CID 90903736
2-[5-[[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methoxy]naphthalen-1-yl]acetic acid
CID 25226322
2-[4-[[3-[8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]acetic acid
CID 66913937
3-[3-[[3-[8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]propanoic acid
CID 66914187
N-[(2-methoxyphenyl)methyl]-1-[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methanamine
CID 174518702
[4-[[3-[8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl] acetate
CID 91451089

Frequently Asked Questions

What is the IUPAC name of 6-[[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methylamino]naphthalene-2-carboxylic acid?
The IUPAC name of 6-[[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methylamino]naphthalene-2-carboxylic acid (CID 25224643) is 6-[[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methylamino]naphthalene-2-carboxylic acid.
What is the SMILES notation for 6-[[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methylamino]naphthalene-2-carboxylic acid?
The canonical SMILES for 6-[[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methylamino]naphthalene-2-carboxylic acid is O=C(O)c1ccc2cc(NCc3cccc(-c4ccnc5c(C(F)(F)F)cccc45)c3)ccc2c1.
What is the InChIKey of 6-[[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methylamino]naphthalene-2-carboxylic acid?
The InChIKey is NDIOIQDCXUDCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19F3N2O2/c29-28(30,31)25-6-2-5-24-23(11-12-32-26(24)25)20-4-1-3-17(13-20)16-33-22-10-9-18-14-21(27(34)35)8-7-19(18)15-22/h1-15,33H,16H2,(H,34,35).
What are the key properties of 6-[[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methylamino]naphthalene-2-carboxylic acid?
6-[[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methylamino]naphthalene-2-carboxylic acid has a molecular weight of 472.47 g/mol, XLogP of 7.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl]methylamino]naphthalene-2-carboxylic acid is sourced from PubChem (CID 25224643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).