N-[[1-(triazol-1-yl)cyclopropyl]methyl]-7-(trifluoromethoxy)quinolin-4-amine

C16H14F3N5O — CID 154855461

IUPACN-[[1-(triazol-1-yl)cyclopropyl]methyl]-7-(trifluoromethoxy)quinolin-4-amine
SMILESFC(F)(F)Oc1ccc2c(NCC3(n4ccnn4)CC3)ccnc2c1
InChIInChI=1S/C16H14F3N5O/c17-16(18,19)25-11-1-2-12-13(3-6-20-14(12)9-11)21-10-15(4-5-15)24-8-7-22-23-24/h1-3,6-9H,4-5,10H2,(H,20,21)
InChIKeyGRQQZRHJMCANGC-UHFFFAOYSA-N
MW349.32 g/mol
LogP3.33
Rot. Bonds5

About N-[[1-(triazol-1-yl)cyclopropyl]methyl]-7-(trifluoromethoxy)quinolin-4-amine

N-[[1-(triazol-1-yl)cyclopropyl]methyl]-7-(trifluoromethoxy)quinolin-4-amine (PubChem CID 154855461) has the molecular formula C16H14F3N5O and a molecular weight of 349.32 g/mol. Its IUPAC name is N-[[1-(triazol-1-yl)cyclopropyl]methyl]-7-(trifluoromethoxy)quinolin-4-amine.

Molecular Properties

Compound NameN-[[1-(triazol-1-yl)cyclopropyl]methyl]-7-(trifluoromethoxy)quinolin-4-amine
PubChem CID154855461
Molecular FormulaC16H14F3N5O
Molecular Weight349.32 g/mol
Exact Mass349.12
IUPAC NameN-[[1-(triazol-1-yl)cyclopropyl]methyl]-7-(trifluoromethoxy)quinolin-4-amine
SMILESFC(F)(F)Oc1ccc2c(NCC3(n4ccnn4)CC3)ccnc2c1
InChIInChI=1S/C16H14F3N5O/c17-16(18,19)25-11-1-2-12-13(3-6-20-14(12)9-11)21-10-15(4-5-15)24-8-7-22-23-24/h1-3,6-9H,4-5,10H2,(H,20,21)
InChIKeyGRQQZRHJMCANGC-UHFFFAOYSA-N
XLogP3.33
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(triazol-1-yl)cyclopropyl]methyl]-7-(trifluoromethoxy)quinolin-4-amine?
The IUPAC name of N-[[1-(triazol-1-yl)cyclopropyl]methyl]-7-(trifluoromethoxy)quinolin-4-amine (CID 154855461) is N-[[1-(triazol-1-yl)cyclopropyl]methyl]-7-(trifluoromethoxy)quinolin-4-amine.
What is the SMILES notation for N-[[1-(triazol-1-yl)cyclopropyl]methyl]-7-(trifluoromethoxy)quinolin-4-amine?
The canonical SMILES for N-[[1-(triazol-1-yl)cyclopropyl]methyl]-7-(trifluoromethoxy)quinolin-4-amine is FC(F)(F)Oc1ccc2c(NCC3(n4ccnn4)CC3)ccnc2c1.
What is the InChIKey of N-[[1-(triazol-1-yl)cyclopropyl]methyl]-7-(trifluoromethoxy)quinolin-4-amine?
The InChIKey is GRQQZRHJMCANGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O/c17-16(18,19)25-11-1-2-12-13(3-6-20-14(12)9-11)21-10-15(4-5-15)24-8-7-22-23-24/h1-3,6-9H,4-5,10H2,(H,20,21).
What are the key properties of N-[[1-(triazol-1-yl)cyclopropyl]methyl]-7-(trifluoromethoxy)quinolin-4-amine?
N-[[1-(triazol-1-yl)cyclopropyl]methyl]-7-(trifluoromethoxy)quinolin-4-amine has a molecular weight of 349.32 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(triazol-1-yl)cyclopropyl]methyl]-7-(trifluoromethoxy)quinolin-4-amine is sourced from PubChem (CID 154855461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).