(3S)-8-fluoro-3-methyl-1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinoline

C14H17FN4 — CID 164631330

IUPAC(3S)-8-fluoro-3-methyl-1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinoline
SMILESC[C@H]1Cc2cccc(F)c2N(Cc2cn(C)nn2)C1
InChIInChI=1S/C14H17FN4/c1-10-6-11-4-3-5-13(15)14(11)19(7-10)9-12-8-18(2)17-16-12/h3-5,8,10H,6-7,9H2,1-2H3/t10-/m0/s1
InChIKeySXHXWNRGYAHYLB-JTQLQIEISA-N
MW260.32 g/mol
LogP2.15
Rot. Bonds2

About (3S)-8-fluoro-3-methyl-1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinoline

(3S)-8-fluoro-3-methyl-1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinoline (PubChem CID 164631330) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is (3S)-8-fluoro-3-methyl-1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name(3S)-8-fluoro-3-methyl-1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinoline
PubChem CID164631330
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name(3S)-8-fluoro-3-methyl-1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinoline
SMILESC[C@H]1Cc2cccc(F)c2N(Cc2cn(C)nn2)C1
InChIInChI=1S/C14H17FN4/c1-10-6-11-4-3-5-13(15)14(11)19(7-10)9-12-8-18(2)17-16-12/h3-5,8,10H,6-7,9H2,1-2H3/t10-/m0/s1
InChIKeySXHXWNRGYAHYLB-JTQLQIEISA-N
XLogP2.15
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-8-fluoro-3-methyl-1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinoline?
The IUPAC name of (3S)-8-fluoro-3-methyl-1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinoline (CID 164631330) is (3S)-8-fluoro-3-methyl-1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for (3S)-8-fluoro-3-methyl-1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for (3S)-8-fluoro-3-methyl-1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinoline is C[C@H]1Cc2cccc(F)c2N(Cc2cn(C)nn2)C1.
What is the InChIKey of (3S)-8-fluoro-3-methyl-1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinoline?
The InChIKey is SXHXWNRGYAHYLB-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17FN4/c1-10-6-11-4-3-5-13(15)14(11)19(7-10)9-12-8-18(2)17-16-12/h3-5,8,10H,6-7,9H2,1-2H3/t10-/m0/s1.
What are the key properties of (3S)-8-fluoro-3-methyl-1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinoline?
(3S)-8-fluoro-3-methyl-1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinoline has a molecular weight of 260.32 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8-fluoro-3-methyl-1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 164631330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).