N-(5-bromo-2-morpholin-4-ylphenyl)-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine

C25H22BrFN4O — CID 59631314

IUPACN-(5-bromo-2-morpholin-4-ylphenyl)-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)ccc2c1Nc1cc(Br)ccc1N1CCOCC1
InChIInChI=1S/C25H22BrFN4O/c1-16-24(30-22-14-17(26)5-8-23(22)31-10-12-32-13-11-31)19-7-6-18(27)15-21(19)29-25(16)20-4-2-3-9-28-20/h2-9,14-15H,10-13H2,1H3,(H,29,30)
InChIKeyXAHPVIUZBGWFML-UHFFFAOYSA-N
MW493.38 g/mol
LogP6.09
Rot. Bonds4

About N-(5-bromo-2-morpholin-4-ylphenyl)-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine

N-(5-bromo-2-morpholin-4-ylphenyl)-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 59631314) has the molecular formula C25H22BrFN4O and a molecular weight of 493.38 g/mol. Its IUPAC name is N-(5-bromo-2-morpholin-4-ylphenyl)-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound NameN-(5-bromo-2-morpholin-4-ylphenyl)-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
PubChem CID59631314
Molecular FormulaC25H22BrFN4O
Molecular Weight493.38 g/mol
Exact Mass492.10
IUPAC NameN-(5-bromo-2-morpholin-4-ylphenyl)-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)ccc2c1Nc1cc(Br)ccc1N1CCOCC1
InChIInChI=1S/C25H22BrFN4O/c1-16-24(30-22-14-17(26)5-8-23(22)31-10-12-32-13-11-31)19-7-6-18(27)15-21(19)29-25(16)20-4-2-3-9-28-20/h2-9,14-15H,10-13H2,1H3,(H,29,30)
InChIKeyXAHPVIUZBGWFML-UHFFFAOYSA-N
XLogP6.09
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.38
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-morpholin-4-ylphenyl)-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of N-(5-bromo-2-morpholin-4-ylphenyl)-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 59631314) is N-(5-bromo-2-morpholin-4-ylphenyl)-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for N-(5-bromo-2-morpholin-4-ylphenyl)-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for N-(5-bromo-2-morpholin-4-ylphenyl)-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is Cc1c(-c2ccccn2)nc2cc(F)ccc2c1Nc1cc(Br)ccc1N1CCOCC1.
What is the InChIKey of N-(5-bromo-2-morpholin-4-ylphenyl)-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is XAHPVIUZBGWFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22BrFN4O/c1-16-24(30-22-14-17(26)5-8-23(22)31-10-12-32-13-11-31)19-7-6-18(27)15-21(19)29-25(16)20-4-2-3-9-28-20/h2-9,14-15H,10-13H2,1H3,(H,29,30).
What are the key properties of N-(5-bromo-2-morpholin-4-ylphenyl)-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
N-(5-bromo-2-morpholin-4-ylphenyl)-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 493.38 g/mol, XLogP of 6.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-morpholin-4-ylphenyl)-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 59631314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).