7-fluoro-5-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazolin-8-amine

C19H17FN6 — CID 156536774

IUPAC7-fluoro-5-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazolin-8-amine
SMILESC[C@@H]1CCc2ccccc2N1c1nc2nncn2c2cc(N)c(F)cc12
InChIInChI=1S/C19H17FN6/c1-11-6-7-12-4-2-3-5-16(12)26(11)18-13-8-14(20)15(21)9-17(13)25-10-22-24-19(25)23-18/h2-5,8-11H,6-7,21H2,1H3/t11-/m1/s1
InChIKeySLZHFXLLMPYBTQ-LLVKDONJSA-N
MW348.39 g/mol
LogP3.47
Rot. Bonds1

About 7-fluoro-5-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazolin-8-amine

7-fluoro-5-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazolin-8-amine (PubChem CID 156536774) has the molecular formula C19H17FN6 and a molecular weight of 348.39 g/mol. Its IUPAC name is 7-fluoro-5-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazolin-8-amine.

Molecular Properties

Compound Name7-fluoro-5-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazolin-8-amine
PubChem CID156536774
Molecular FormulaC19H17FN6
Molecular Weight348.39 g/mol
Exact Mass348.15
IUPAC Name7-fluoro-5-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazolin-8-amine
SMILESC[C@@H]1CCc2ccccc2N1c1nc2nncn2c2cc(N)c(F)cc12
InChIInChI=1S/C19H17FN6/c1-11-6-7-12-4-2-3-5-16(12)26(11)18-13-8-14(20)15(21)9-17(13)25-10-22-24-19(25)23-18/h2-5,8-11H,6-7,21H2,1H3/t11-/m1/s1
InChIKeySLZHFXLLMPYBTQ-LLVKDONJSA-N
XLogP3.47
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazolin-8-amine?
The IUPAC name of 7-fluoro-5-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazolin-8-amine (CID 156536774) is 7-fluoro-5-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazolin-8-amine.
What is the SMILES notation for 7-fluoro-5-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazolin-8-amine?
The canonical SMILES for 7-fluoro-5-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazolin-8-amine is C[C@@H]1CCc2ccccc2N1c1nc2nncn2c2cc(N)c(F)cc12.
What is the InChIKey of 7-fluoro-5-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazolin-8-amine?
The InChIKey is SLZHFXLLMPYBTQ-LLVKDONJSA-N. The full InChI is InChI=1S/C19H17FN6/c1-11-6-7-12-4-2-3-5-16(12)26(11)18-13-8-14(20)15(21)9-17(13)25-10-22-24-19(25)23-18/h2-5,8-11H,6-7,21H2,1H3/t11-/m1/s1.
What are the key properties of 7-fluoro-5-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazolin-8-amine?
7-fluoro-5-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazolin-8-amine has a molecular weight of 348.39 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazolin-8-amine is sourced from PubChem (CID 156536774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).