6-fluoro-2-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]quinolin-4-amine

C18H19FN4O — CID 154755400

IUPAC6-fluoro-2-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]quinolin-4-amine
SMILESCc1cc(N[C@H]2CCO[C@@H]2c2cnn(C)c2)c2cc(F)ccc2n1
InChIInChI=1S/C18H19FN4O/c1-11-7-17(14-8-13(19)3-4-15(14)21-11)22-16-5-6-24-18(16)12-9-20-23(2)10-12/h3-4,7-10,16,18H,5-6H2,1-2H3,(H,21,22)/t16-,18+/m0/s1
InChIKeyGCDLYJLOVWPQID-FUHWJXTLSA-N
MW326.38 g/mol
LogP3.36
Rot. Bonds3

About 6-fluoro-2-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]quinolin-4-amine

6-fluoro-2-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]quinolin-4-amine (PubChem CID 154755400) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is 6-fluoro-2-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]quinolin-4-amine.

Molecular Properties

Compound Name6-fluoro-2-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]quinolin-4-amine
PubChem CID154755400
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name6-fluoro-2-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]quinolin-4-amine
SMILESCc1cc(N[C@H]2CCO[C@@H]2c2cnn(C)c2)c2cc(F)ccc2n1
InChIInChI=1S/C18H19FN4O/c1-11-7-17(14-8-13(19)3-4-15(14)21-11)22-16-5-6-24-18(16)12-9-20-23(2)10-12/h3-4,7-10,16,18H,5-6H2,1-2H3,(H,21,22)/t16-,18+/m0/s1
InChIKeyGCDLYJLOVWPQID-FUHWJXTLSA-N
XLogP3.36
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]quinolin-4-amine?
The IUPAC name of 6-fluoro-2-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]quinolin-4-amine (CID 154755400) is 6-fluoro-2-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]quinolin-4-amine.
What is the SMILES notation for 6-fluoro-2-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]quinolin-4-amine?
The canonical SMILES for 6-fluoro-2-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]quinolin-4-amine is Cc1cc(N[C@H]2CCO[C@@H]2c2cnn(C)c2)c2cc(F)ccc2n1.
What is the InChIKey of 6-fluoro-2-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]quinolin-4-amine?
The InChIKey is GCDLYJLOVWPQID-FUHWJXTLSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-11-7-17(14-8-13(19)3-4-15(14)21-11)22-16-5-6-24-18(16)12-9-20-23(2)10-12/h3-4,7-10,16,18H,5-6H2,1-2H3,(H,21,22)/t16-,18+/m0/s1.
What are the key properties of 6-fluoro-2-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]quinolin-4-amine?
6-fluoro-2-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]quinolin-4-amine has a molecular weight of 326.38 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]quinolin-4-amine is sourced from PubChem (CID 154755400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).