[(1R)-1-[8-chloro-2-(6-methyl-3-pyridinyl)quinolin-3-yl]-2,2,2-trifluoroethyl]azanide

C17H12ClF3N3- — CID 149431518

IUPAC[(1R)-1-[8-chloro-2-(6-methyl-3-pyridinyl)quinolin-3-yl]-2,2,2-trifluoroethyl]azanide
SMILESCc1ccc(-c2nc3c(Cl)cccc3cc2[C@@H]([NH-])C(F)(F)F)cn1
InChIInChI=1S/C17H12ClF3N3/c1-9-5-6-11(8-23-9)14-12(16(22)17(19,20)21)7-10-3-2-4-13(18)15(10)24-14/h2-8,16,22H,1H3/q-1/t16-/m1/s1
InChIKeyQPVHMIOGFGCXPM-MRXNPFEDSA-N
MW350.75 g/mol
LogP5.91
Rot. Bonds2

About [(1R)-1-[8-chloro-2-(6-methyl-3-pyridinyl)quinolin-3-yl]-2,2,2-trifluoroethyl]azanide

[(1R)-1-[8-chloro-2-(6-methyl-3-pyridinyl)quinolin-3-yl]-2,2,2-trifluoroethyl]azanide (PubChem CID 149431518) has the molecular formula C17H12ClF3N3- and a molecular weight of 350.75 g/mol. Its IUPAC name is [(1R)-1-[8-chloro-2-(6-methyl-3-pyridinyl)quinolin-3-yl]-2,2,2-trifluoroethyl]azanide.

Molecular Properties

Compound Name[(1R)-1-[8-chloro-2-(6-methyl-3-pyridinyl)quinolin-3-yl]-2,2,2-trifluoroethyl]azanide
PubChem CID149431518
Molecular FormulaC17H12ClF3N3-
Molecular Weight350.75 g/mol
Exact Mass350.07
IUPAC Name[(1R)-1-[8-chloro-2-(6-methyl-3-pyridinyl)quinolin-3-yl]-2,2,2-trifluoroethyl]azanide
SMILESCc1ccc(-c2nc3c(Cl)cccc3cc2[C@@H]([NH-])C(F)(F)F)cn1
InChIInChI=1S/C17H12ClF3N3/c1-9-5-6-11(8-23-9)14-12(16(22)17(19,20)21)7-10-3-2-4-13(18)15(10)24-14/h2-8,16,22H,1H3/q-1/t16-/m1/s1
InChIKeyQPVHMIOGFGCXPM-MRXNPFEDSA-N
XLogP5.91
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.75
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[8-chloro-2-(6-methyl-3-pyridinyl)quinolin-3-yl]-2,2,2-trifluoroethyl]azanide?
The IUPAC name of [(1R)-1-[8-chloro-2-(6-methyl-3-pyridinyl)quinolin-3-yl]-2,2,2-trifluoroethyl]azanide (CID 149431518) is [(1R)-1-[8-chloro-2-(6-methyl-3-pyridinyl)quinolin-3-yl]-2,2,2-trifluoroethyl]azanide.
What is the SMILES notation for [(1R)-1-[8-chloro-2-(6-methyl-3-pyridinyl)quinolin-3-yl]-2,2,2-trifluoroethyl]azanide?
The canonical SMILES for [(1R)-1-[8-chloro-2-(6-methyl-3-pyridinyl)quinolin-3-yl]-2,2,2-trifluoroethyl]azanide is Cc1ccc(-c2nc3c(Cl)cccc3cc2[C@@H]([NH-])C(F)(F)F)cn1.
What is the InChIKey of [(1R)-1-[8-chloro-2-(6-methyl-3-pyridinyl)quinolin-3-yl]-2,2,2-trifluoroethyl]azanide?
The InChIKey is QPVHMIOGFGCXPM-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H12ClF3N3/c1-9-5-6-11(8-23-9)14-12(16(22)17(19,20)21)7-10-3-2-4-13(18)15(10)24-14/h2-8,16,22H,1H3/q-1/t16-/m1/s1.
What are the key properties of [(1R)-1-[8-chloro-2-(6-methyl-3-pyridinyl)quinolin-3-yl]-2,2,2-trifluoroethyl]azanide?
[(1R)-1-[8-chloro-2-(6-methyl-3-pyridinyl)quinolin-3-yl]-2,2,2-trifluoroethyl]azanide has a molecular weight of 350.75 g/mol, XLogP of 5.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[8-chloro-2-(6-methyl-3-pyridinyl)quinolin-3-yl]-2,2,2-trifluoroethyl]azanide is sourced from PubChem (CID 149431518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).