4-chloro-8-fluoro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine

C17H16ClFN4O — CID 154649567

IUPAC4-chloro-8-fluoro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine
SMILESNc1cc(Cl)c2ccc(-c3ccnn3C3CCCCO3)c(F)c2n1
InChIInChI=1S/C17H16ClFN4O/c18-12-9-14(20)22-17-10(12)4-5-11(16(17)19)13-6-7-21-23(13)15-3-1-2-8-24-15/h4-7,9,15H,1-3,8H2,(H2,20,22)
InChIKeyULPYVGNUITXQCK-UHFFFAOYSA-N
MW346.79 g/mol
LogP4.17
Rot. Bonds2

About 4-chloro-8-fluoro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine

4-chloro-8-fluoro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine (PubChem CID 154649567) has the molecular formula C17H16ClFN4O and a molecular weight of 346.79 g/mol. Its IUPAC name is 4-chloro-8-fluoro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine.

Molecular Properties

Compound Name4-chloro-8-fluoro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine
PubChem CID154649567
Molecular FormulaC17H16ClFN4O
Molecular Weight346.79 g/mol
Exact Mass346.10
IUPAC Name4-chloro-8-fluoro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine
SMILESNc1cc(Cl)c2ccc(-c3ccnn3C3CCCCO3)c(F)c2n1
InChIInChI=1S/C17H16ClFN4O/c18-12-9-14(20)22-17-10(12)4-5-11(16(17)19)13-6-7-21-23(13)15-3-1-2-8-24-15/h4-7,9,15H,1-3,8H2,(H2,20,22)
InChIKeyULPYVGNUITXQCK-UHFFFAOYSA-N
XLogP4.17
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.79
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-fluoro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine?
The IUPAC name of 4-chloro-8-fluoro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine (CID 154649567) is 4-chloro-8-fluoro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine.
What is the SMILES notation for 4-chloro-8-fluoro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine?
The canonical SMILES for 4-chloro-8-fluoro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine is Nc1cc(Cl)c2ccc(-c3ccnn3C3CCCCO3)c(F)c2n1.
What is the InChIKey of 4-chloro-8-fluoro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine?
The InChIKey is ULPYVGNUITXQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN4O/c18-12-9-14(20)22-17-10(12)4-5-11(16(17)19)13-6-7-21-23(13)15-3-1-2-8-24-15/h4-7,9,15H,1-3,8H2,(H2,20,22).
What are the key properties of 4-chloro-8-fluoro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine?
4-chloro-8-fluoro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine has a molecular weight of 346.79 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-fluoro-7-[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine is sourced from PubChem (CID 154649567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).