N-[(7,8-difluoro-2-methoxyquinolin-4-yl)methyl]-N-phenylfuro[3,2-c]pyridin-4-amine

C24H17F2N3O2 — CID 68851462

IUPACN-[(7,8-difluoro-2-methoxyquinolin-4-yl)methyl]-N-phenylfuro[3,2-c]pyridin-4-amine
SMILESCOc1cc(CN(c2ccccc2)c2nccc3occc23)c2ccc(F)c(F)c2n1
InChIInChI=1S/C24H17F2N3O2/c1-30-21-13-15(17-7-8-19(25)22(26)23(17)28-21)14-29(16-5-3-2-4-6-16)24-18-10-12-31-20(18)9-11-27-24/h2-13H,14H2,1H3
InChIKeyAJPJPZNEIGSRFD-UHFFFAOYSA-N
MW417.42 g/mol
LogP6.00
Rot. Bonds5

About N-[(7,8-difluoro-2-methoxyquinolin-4-yl)methyl]-N-phenylfuro[3,2-c]pyridin-4-amine

N-[(7,8-difluoro-2-methoxyquinolin-4-yl)methyl]-N-phenylfuro[3,2-c]pyridin-4-amine (PubChem CID 68851462) has the molecular formula C24H17F2N3O2 and a molecular weight of 417.42 g/mol. Its IUPAC name is N-[(7,8-difluoro-2-methoxyquinolin-4-yl)methyl]-N-phenylfuro[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-[(7,8-difluoro-2-methoxyquinolin-4-yl)methyl]-N-phenylfuro[3,2-c]pyridin-4-amine
PubChem CID68851462
Molecular FormulaC24H17F2N3O2
Molecular Weight417.42 g/mol
Exact Mass417.13
IUPAC NameN-[(7,8-difluoro-2-methoxyquinolin-4-yl)methyl]-N-phenylfuro[3,2-c]pyridin-4-amine
SMILESCOc1cc(CN(c2ccccc2)c2nccc3occc23)c2ccc(F)c(F)c2n1
InChIInChI=1S/C24H17F2N3O2/c1-30-21-13-15(17-7-8-19(25)22(26)23(17)28-21)14-29(16-5-3-2-4-6-16)24-18-10-12-31-20(18)9-11-27-24/h2-13H,14H2,1H3
InChIKeyAJPJPZNEIGSRFD-UHFFFAOYSA-N
XLogP6.00
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.42
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(7,8-difluoro-2-methoxyquinolin-4-yl)methyl]-N-phenylfuro[3,2-c]pyridin-4-amine?
The IUPAC name of N-[(7,8-difluoro-2-methoxyquinolin-4-yl)methyl]-N-phenylfuro[3,2-c]pyridin-4-amine (CID 68851462) is N-[(7,8-difluoro-2-methoxyquinolin-4-yl)methyl]-N-phenylfuro[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-[(7,8-difluoro-2-methoxyquinolin-4-yl)methyl]-N-phenylfuro[3,2-c]pyridin-4-amine?
The canonical SMILES for N-[(7,8-difluoro-2-methoxyquinolin-4-yl)methyl]-N-phenylfuro[3,2-c]pyridin-4-amine is COc1cc(CN(c2ccccc2)c2nccc3occc23)c2ccc(F)c(F)c2n1.
What is the InChIKey of N-[(7,8-difluoro-2-methoxyquinolin-4-yl)methyl]-N-phenylfuro[3,2-c]pyridin-4-amine?
The InChIKey is AJPJPZNEIGSRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N3O2/c1-30-21-13-15(17-7-8-19(25)22(26)23(17)28-21)14-29(16-5-3-2-4-6-16)24-18-10-12-31-20(18)9-11-27-24/h2-13H,14H2,1H3.
What are the key properties of N-[(7,8-difluoro-2-methoxyquinolin-4-yl)methyl]-N-phenylfuro[3,2-c]pyridin-4-amine?
N-[(7,8-difluoro-2-methoxyquinolin-4-yl)methyl]-N-phenylfuro[3,2-c]pyridin-4-amine has a molecular weight of 417.42 g/mol, XLogP of 6.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7,8-difluoro-2-methoxyquinolin-4-yl)methyl]-N-phenylfuro[3,2-c]pyridin-4-amine is sourced from PubChem (CID 68851462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).