5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-2,3-dimethylquinolin-4-amine

C26H25F2N5O2 — CID 66631673

IUPAC5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-2,3-dimethylquinolin-4-amine
SMILESCOc1cncc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(C)nc3cc(F)cc(F)c23)c1
InChIInChI=1S/C26H25F2N5O2/c1-15-16(2)31-23-10-18(27)9-21(28)25(23)26(15)32-22-11-24(33-4-6-35-7-5-33)30-14-20(22)17-8-19(34-3)13-29-12-17/h8-14H,4-7H2,1-3H3,(H,30,31,32)
InChIKeySLSJHHHFNIWANM-UHFFFAOYSA-N
MW477.52 g/mol
LogP5.18
Rot. Bonds5

About 5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-2,3-dimethylquinolin-4-amine

5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-2,3-dimethylquinolin-4-amine (PubChem CID 66631673) has the molecular formula C26H25F2N5O2 and a molecular weight of 477.52 g/mol. Its IUPAC name is 5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-2,3-dimethylquinolin-4-amine.

Molecular Properties

Compound Name5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-2,3-dimethylquinolin-4-amine
PubChem CID66631673
Molecular FormulaC26H25F2N5O2
Molecular Weight477.52 g/mol
Exact Mass477.20
IUPAC Name5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-2,3-dimethylquinolin-4-amine
SMILESCOc1cncc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(C)nc3cc(F)cc(F)c23)c1
InChIInChI=1S/C26H25F2N5O2/c1-15-16(2)31-23-10-18(27)9-21(28)25(23)26(15)32-22-11-24(33-4-6-35-7-5-33)30-14-20(22)17-8-19(34-3)13-29-12-17/h8-14H,4-7H2,1-3H3,(H,30,31,32)
InChIKeySLSJHHHFNIWANM-UHFFFAOYSA-N
XLogP5.18
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.52
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-2,3-dimethylquinolin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-2,3-dimethylquinolin-4-amine?
The IUPAC name of 5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-2,3-dimethylquinolin-4-amine (CID 66631673) is 5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-2,3-dimethylquinolin-4-amine.
What is the SMILES notation for 5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-2,3-dimethylquinolin-4-amine?
The canonical SMILES for 5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-2,3-dimethylquinolin-4-amine is COc1cncc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(C)nc3cc(F)cc(F)c23)c1.
What is the InChIKey of 5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-2,3-dimethylquinolin-4-amine?
The InChIKey is SLSJHHHFNIWANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N5O2/c1-15-16(2)31-23-10-18(27)9-21(28)25(23)26(15)32-22-11-24(33-4-6-35-7-5-33)30-14-20(22)17-8-19(34-3)13-29-12-17/h8-14H,4-7H2,1-3H3,(H,30,31,32).
What are the key properties of 5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-2,3-dimethylquinolin-4-amine?
5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-2,3-dimethylquinolin-4-amine has a molecular weight of 477.52 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-2,3-dimethylquinolin-4-amine is sourced from PubChem (CID 66631673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).