5,7-difluoro-2-(5-methoxy-3-pyridinyl)-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)quinolin-4-amine

C25H23F2N5O2 — CID 67508710

IUPAC5,7-difluoro-2-(5-methoxy-3-pyridinyl)-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)quinolin-4-amine
SMILESCOc1cncc(-c2nc3cc(F)cc(F)c3c(Nc3cncc(N4CCOCC4)c3)c2C)c1
InChIInChI=1S/C25H23F2N5O2/c1-15-24(16-7-20(33-2)14-28-11-16)31-22-9-17(26)8-21(27)23(22)25(15)30-18-10-19(13-29-12-18)32-3-5-34-6-4-32/h7-14H,3-6H2,1-2H3,(H,30,31)
InChIKeyPNAPFROBPGMEDL-UHFFFAOYSA-N
MW463.49 g/mol
LogP4.87
Rot. Bonds5

About 5,7-difluoro-2-(5-methoxy-3-pyridinyl)-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)quinolin-4-amine

5,7-difluoro-2-(5-methoxy-3-pyridinyl)-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)quinolin-4-amine (PubChem CID 67508710) has the molecular formula C25H23F2N5O2 and a molecular weight of 463.49 g/mol. Its IUPAC name is 5,7-difluoro-2-(5-methoxy-3-pyridinyl)-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)quinolin-4-amine.

Molecular Properties

Compound Name5,7-difluoro-2-(5-methoxy-3-pyridinyl)-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)quinolin-4-amine
PubChem CID67508710
Molecular FormulaC25H23F2N5O2
Molecular Weight463.49 g/mol
Exact Mass463.18
IUPAC Name5,7-difluoro-2-(5-methoxy-3-pyridinyl)-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)quinolin-4-amine
SMILESCOc1cncc(-c2nc3cc(F)cc(F)c3c(Nc3cncc(N4CCOCC4)c3)c2C)c1
InChIInChI=1S/C25H23F2N5O2/c1-15-24(16-7-20(33-2)14-28-11-16)31-22-9-17(26)8-21(27)23(22)25(15)30-18-10-19(13-29-12-18)32-3-5-34-6-4-32/h7-14H,3-6H2,1-2H3,(H,30,31)
InChIKeyPNAPFROBPGMEDL-UHFFFAOYSA-N
XLogP4.87
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-2-(5-methoxy-3-pyridinyl)-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)quinolin-4-amine?
The IUPAC name of 5,7-difluoro-2-(5-methoxy-3-pyridinyl)-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)quinolin-4-amine (CID 67508710) is 5,7-difluoro-2-(5-methoxy-3-pyridinyl)-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)quinolin-4-amine.
What is the SMILES notation for 5,7-difluoro-2-(5-methoxy-3-pyridinyl)-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)quinolin-4-amine?
The canonical SMILES for 5,7-difluoro-2-(5-methoxy-3-pyridinyl)-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)quinolin-4-amine is COc1cncc(-c2nc3cc(F)cc(F)c3c(Nc3cncc(N4CCOCC4)c3)c2C)c1.
What is the InChIKey of 5,7-difluoro-2-(5-methoxy-3-pyridinyl)-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)quinolin-4-amine?
The InChIKey is PNAPFROBPGMEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N5O2/c1-15-24(16-7-20(33-2)14-28-11-16)31-22-9-17(26)8-21(27)23(22)25(15)30-18-10-19(13-29-12-18)32-3-5-34-6-4-32/h7-14H,3-6H2,1-2H3,(H,30,31).
What are the key properties of 5,7-difluoro-2-(5-methoxy-3-pyridinyl)-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)quinolin-4-amine?
5,7-difluoro-2-(5-methoxy-3-pyridinyl)-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)quinolin-4-amine has a molecular weight of 463.49 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-2-(5-methoxy-3-pyridinyl)-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)quinolin-4-amine is sourced from PubChem (CID 67508710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).