2-methyl-N-[(3S)-oxolan-3-yl]-7-(trifluoromethyl)quinolin-4-amine

C15H15F3N2O — CID 171359188

IUPAC2-methyl-N-[(3S)-oxolan-3-yl]-7-(trifluoromethyl)quinolin-4-amine
SMILESCc1cc(N[C@H]2CCOC2)c2ccc(C(F)(F)F)cc2n1
InChIInChI=1S/C15H15F3N2O/c1-9-6-13(20-11-4-5-21-8-11)12-3-2-10(15(16,17)18)7-14(12)19-9/h2-3,6-7,11H,4-5,8H2,1H3,(H,19,20)/t11-/m0/s1
InChIKeyWDQGSJQDJROHSV-NSHDSACASA-N
MW296.29 g/mol
LogP3.76
Rot. Bonds2

About 2-methyl-N-[(3S)-oxolan-3-yl]-7-(trifluoromethyl)quinolin-4-amine

2-methyl-N-[(3S)-oxolan-3-yl]-7-(trifluoromethyl)quinolin-4-amine (PubChem CID 171359188) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-methyl-N-[(3S)-oxolan-3-yl]-7-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[(3S)-oxolan-3-yl]-7-(trifluoromethyl)quinolin-4-amine
PubChem CID171359188
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC Name2-methyl-N-[(3S)-oxolan-3-yl]-7-(trifluoromethyl)quinolin-4-amine
SMILESCc1cc(N[C@H]2CCOC2)c2ccc(C(F)(F)F)cc2n1
InChIInChI=1S/C15H15F3N2O/c1-9-6-13(20-11-4-5-21-8-11)12-3-2-10(15(16,17)18)7-14(12)19-9/h2-3,6-7,11H,4-5,8H2,1H3,(H,19,20)/t11-/m0/s1
InChIKeyWDQGSJQDJROHSV-NSHDSACASA-N
XLogP3.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3S)-oxolan-3-yl]-7-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of 2-methyl-N-[(3S)-oxolan-3-yl]-7-(trifluoromethyl)quinolin-4-amine (CID 171359188) is 2-methyl-N-[(3S)-oxolan-3-yl]-7-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for 2-methyl-N-[(3S)-oxolan-3-yl]-7-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for 2-methyl-N-[(3S)-oxolan-3-yl]-7-(trifluoromethyl)quinolin-4-amine is Cc1cc(N[C@H]2CCOC2)c2ccc(C(F)(F)F)cc2n1.
What is the InChIKey of 2-methyl-N-[(3S)-oxolan-3-yl]-7-(trifluoromethyl)quinolin-4-amine?
The InChIKey is WDQGSJQDJROHSV-NSHDSACASA-N. The full InChI is InChI=1S/C15H15F3N2O/c1-9-6-13(20-11-4-5-21-8-11)12-3-2-10(15(16,17)18)7-14(12)19-9/h2-3,6-7,11H,4-5,8H2,1H3,(H,19,20)/t11-/m0/s1.
What are the key properties of 2-methyl-N-[(3S)-oxolan-3-yl]-7-(trifluoromethyl)quinolin-4-amine?
2-methyl-N-[(3S)-oxolan-3-yl]-7-(trifluoromethyl)quinolin-4-amine has a molecular weight of 296.29 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3S)-oxolan-3-yl]-7-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 171359188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).