N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine

C24H20BrF2N5O — CID 59631101

IUPACN-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(Br)cnc1N1CCOCC1
InChIInChI=1S/C24H20BrF2N5O/c1-14-22(18-4-2-3-5-28-18)30-19-12-16(26)11-17(27)21(19)23(14)31-20-10-15(25)13-29-24(20)32-6-8-33-9-7-32/h2-5,10-13H,6-9H2,1H3,(H,30,31)
InChIKeyVJRBPNMERWOWLL-UHFFFAOYSA-N
MW512.36 g/mol
LogP5.62
Rot. Bonds4

About N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine

N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 59631101) has the molecular formula C24H20BrF2N5O and a molecular weight of 512.36 g/mol. Its IUPAC name is N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound NameN-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
PubChem CID59631101
Molecular FormulaC24H20BrF2N5O
Molecular Weight512.36 g/mol
Exact Mass511.08
IUPAC NameN-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(Br)cnc1N1CCOCC1
InChIInChI=1S/C24H20BrF2N5O/c1-14-22(18-4-2-3-5-28-18)30-19-12-16(26)11-17(27)21(19)23(14)31-20-10-15(25)13-29-24(20)32-6-8-33-9-7-32/h2-5,10-13H,6-9H2,1H3,(H,30,31)
InChIKeyVJRBPNMERWOWLL-UHFFFAOYSA-N
XLogP5.62
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.36
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 59631101) is N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(Br)cnc1N1CCOCC1.
What is the InChIKey of N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is VJRBPNMERWOWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrF2N5O/c1-14-22(18-4-2-3-5-28-18)30-19-12-16(26)11-17(27)21(19)23(14)31-20-10-15(25)13-29-24(20)32-6-8-33-9-7-32/h2-5,10-13H,6-9H2,1H3,(H,30,31).
What are the key properties of N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 512.36 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 59631101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).