N-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine

C19H21FN4O — CID 128992117

IUPACN-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine
SMILESCn1nccc1[C@@H]1OCC[C@H]1CNCc1cc(F)cc2cccnc12
InChIInChI=1S/C19H21FN4O/c1-24-17(4-7-23-24)19-14(5-8-25-19)11-21-12-15-10-16(20)9-13-3-2-6-22-18(13)15/h2-4,6-7,9-10,14,19,21H,5,8,11-12H2,1H3/t14-,19+/m0/s1
InChIKeyYQTYNYTYBFOHCJ-IFXJQAMLSA-N
MW340.40 g/mol
LogP2.97
Rot. Bonds5

About N-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine

N-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine (PubChem CID 128992117) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine.

Molecular Properties

Compound NameN-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine
PubChem CID128992117
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC NameN-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine
SMILESCn1nccc1[C@@H]1OCC[C@H]1CNCc1cc(F)cc2cccnc12
InChIInChI=1S/C19H21FN4O/c1-24-17(4-7-23-24)19-14(5-8-25-19)11-21-12-15-10-16(20)9-13-3-2-6-22-18(13)15/h2-4,6-7,9-10,14,19,21H,5,8,11-12H2,1H3/t14-,19+/m0/s1
InChIKeyYQTYNYTYBFOHCJ-IFXJQAMLSA-N
XLogP2.97
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine?
The IUPAC name of N-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine (CID 128992117) is N-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine.
What is the SMILES notation for N-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine?
The canonical SMILES for N-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine is Cn1nccc1[C@@H]1OCC[C@H]1CNCc1cc(F)cc2cccnc12.
What is the InChIKey of N-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine?
The InChIKey is YQTYNYTYBFOHCJ-IFXJQAMLSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-24-17(4-7-23-24)19-14(5-8-25-19)11-21-12-15-10-16(20)9-13-3-2-6-22-18(13)15/h2-4,6-7,9-10,14,19,21H,5,8,11-12H2,1H3/t14-,19+/m0/s1.
What are the key properties of N-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine?
N-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine has a molecular weight of 340.40 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine is sourced from PubChem (CID 128992117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).