N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-6-propyl-2-pyridin-2-ylquinolin-4-amine

C27H26BrF2N5O — CID 90755379

IUPACN-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-6-propyl-2-pyridin-2-ylquinolin-4-amine
SMILESCCCc1c(F)cc2nc(-c3ccccn3)c(C)c(Nc3cc(Br)cnc3N3CCOCC3)c2c1F
InChIInChI=1S/C27H26BrF2N5O/c1-3-6-18-19(29)14-21-23(24(18)30)26(16(2)25(33-21)20-7-4-5-8-31-20)34-22-13-17(28)15-32-27(22)35-9-11-36-12-10-35/h4-5,7-8,13-15H,3,6,9-12H2,1-2H3,(H,33,34)
InChIKeyKUXLYSFLFGPDED-UHFFFAOYSA-N
MW554.44 g/mol
LogP6.57
Rot. Bonds6

About N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-6-propyl-2-pyridin-2-ylquinolin-4-amine

N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-6-propyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 90755379) has the molecular formula C27H26BrF2N5O and a molecular weight of 554.44 g/mol. Its IUPAC name is N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-6-propyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound NameN-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-6-propyl-2-pyridin-2-ylquinolin-4-amine
PubChem CID90755379
Molecular FormulaC27H26BrF2N5O
Molecular Weight554.44 g/mol
Exact Mass553.13
IUPAC NameN-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-6-propyl-2-pyridin-2-ylquinolin-4-amine
SMILESCCCc1c(F)cc2nc(-c3ccccn3)c(C)c(Nc3cc(Br)cnc3N3CCOCC3)c2c1F
InChIInChI=1S/C27H26BrF2N5O/c1-3-6-18-19(29)14-21-23(24(18)30)26(16(2)25(33-21)20-7-4-5-8-31-20)34-22-13-17(28)15-32-27(22)35-9-11-36-12-10-35/h4-5,7-8,13-15H,3,6,9-12H2,1-2H3,(H,33,34)
InChIKeyKUXLYSFLFGPDED-UHFFFAOYSA-N
XLogP6.57
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.44
LogP ≤ 56.57
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-6-propyl-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-6-propyl-2-pyridin-2-ylquinolin-4-amine (CID 90755379) is N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-6-propyl-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-6-propyl-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-6-propyl-2-pyridin-2-ylquinolin-4-amine is CCCc1c(F)cc2nc(-c3ccccn3)c(C)c(Nc3cc(Br)cnc3N3CCOCC3)c2c1F.
What is the InChIKey of N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-6-propyl-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is KUXLYSFLFGPDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26BrF2N5O/c1-3-6-18-19(29)14-21-23(24(18)30)26(16(2)25(33-21)20-7-4-5-8-31-20)34-22-13-17(28)15-32-27(22)35-9-11-36-12-10-35/h4-5,7-8,13-15H,3,6,9-12H2,1-2H3,(H,33,34).
What are the key properties of N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-6-propyl-2-pyridin-2-ylquinolin-4-amine?
N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-6-propyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 554.44 g/mol, XLogP of 6.57, 6 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-6-propyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 90755379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).