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

C25H23F2N5O — CID 59631159

IUPAC5,7-difluoro-3-methyl-2-(5-methyl-3-pyridinyl)-N-(5-morpholin-4-yl-3-pyridinyl)quinolin-4-amine
SMILESCc1cncc(-c2nc3cc(F)cc(F)c3c(Nc3cncc(N4CCOCC4)c3)c2C)c1
InChIInChI=1S/C25H23F2N5O/c1-15-7-17(12-28-11-15)24-16(2)25(23-21(27)8-18(26)9-22(23)31-24)30-19-10-20(14-29-13-19)32-3-5-33-6-4-32/h7-14H,3-6H2,1-2H3,(H,30,31)
InChIKeyHFLHWBTVGNLTEP-UHFFFAOYSA-N
MW447.49 g/mol
LogP5.17
Rot. Bonds4

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

5,7-difluoro-3-methyl-2-(5-methyl-3-pyridinyl)-N-(5-morpholin-4-yl-3-pyridinyl)quinolin-4-amine (PubChem CID 59631159) has the molecular formula C25H23F2N5O and a molecular weight of 447.49 g/mol. Its IUPAC name is 5,7-difluoro-3-methyl-2-(5-methyl-3-pyridinyl)-N-(5-morpholin-4-yl-3-pyridinyl)quinolin-4-amine.

Molecular Properties

Compound Name5,7-difluoro-3-methyl-2-(5-methyl-3-pyridinyl)-N-(5-morpholin-4-yl-3-pyridinyl)quinolin-4-amine
PubChem CID59631159
Molecular FormulaC25H23F2N5O
Molecular Weight447.49 g/mol
Exact Mass447.19
IUPAC Name5,7-difluoro-3-methyl-2-(5-methyl-3-pyridinyl)-N-(5-morpholin-4-yl-3-pyridinyl)quinolin-4-amine
SMILESCc1cncc(-c2nc3cc(F)cc(F)c3c(Nc3cncc(N4CCOCC4)c3)c2C)c1
InChIInChI=1S/C25H23F2N5O/c1-15-7-17(12-28-11-15)24-16(2)25(23-21(27)8-18(26)9-22(23)31-24)30-19-10-20(14-29-13-19)32-3-5-33-6-4-32/h7-14H,3-6H2,1-2H3,(H,30,31)
InChIKeyHFLHWBTVGNLTEP-UHFFFAOYSA-N
XLogP5.17
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.49
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-3-methyl-2-(5-methyl-3-pyridinyl)-N-(5-morpholin-4-yl-3-pyridinyl)quinolin-4-amine?
The IUPAC name of 5,7-difluoro-3-methyl-2-(5-methyl-3-pyridinyl)-N-(5-morpholin-4-yl-3-pyridinyl)quinolin-4-amine (CID 59631159) is 5,7-difluoro-3-methyl-2-(5-methyl-3-pyridinyl)-N-(5-morpholin-4-yl-3-pyridinyl)quinolin-4-amine.
What is the SMILES notation for 5,7-difluoro-3-methyl-2-(5-methyl-3-pyridinyl)-N-(5-morpholin-4-yl-3-pyridinyl)quinolin-4-amine?
The canonical SMILES for 5,7-difluoro-3-methyl-2-(5-methyl-3-pyridinyl)-N-(5-morpholin-4-yl-3-pyridinyl)quinolin-4-amine is Cc1cncc(-c2nc3cc(F)cc(F)c3c(Nc3cncc(N4CCOCC4)c3)c2C)c1.
What is the InChIKey of 5,7-difluoro-3-methyl-2-(5-methyl-3-pyridinyl)-N-(5-morpholin-4-yl-3-pyridinyl)quinolin-4-amine?
The InChIKey is HFLHWBTVGNLTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N5O/c1-15-7-17(12-28-11-15)24-16(2)25(23-21(27)8-18(26)9-22(23)31-24)30-19-10-20(14-29-13-19)32-3-5-33-6-4-32/h7-14H,3-6H2,1-2H3,(H,30,31).
What are the key properties of 5,7-difluoro-3-methyl-2-(5-methyl-3-pyridinyl)-N-(5-morpholin-4-yl-3-pyridinyl)quinolin-4-amine?
5,7-difluoro-3-methyl-2-(5-methyl-3-pyridinyl)-N-(5-morpholin-4-yl-3-pyridinyl)quinolin-4-amine has a molecular weight of 447.49 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-3-methyl-2-(5-methyl-3-pyridinyl)-N-(5-morpholin-4-yl-3-pyridinyl)quinolin-4-amine is sourced from PubChem (CID 59631159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).