N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(4-methoxyphenyl)quinolin-4-amine

C27H19F2N3O — CID 164614671

IUPACN-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(4-methoxyphenyl)quinolin-4-amine
SMILESCOc1ccc(-c2ccc3c(Nc4ccnc(-c5cc(F)ccc5F)c4)ccnc3c2)cc1
InChIInChI=1S/C27H19F2N3O/c1-33-21-6-2-17(3-7-21)18-4-8-22-25(11-13-31-26(22)14-18)32-20-10-12-30-27(16-20)23-15-19(28)5-9-24(23)29/h2-16H,1H3,(H,30,31,32)
InChIKeyNPBRDPDGKBGKSL-UHFFFAOYSA-N
MW439.47 g/mol
LogP6.99
Rot. Bonds5

About N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(4-methoxyphenyl)quinolin-4-amine

N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(4-methoxyphenyl)quinolin-4-amine (PubChem CID 164614671) has the molecular formula C27H19F2N3O and a molecular weight of 439.47 g/mol. Its IUPAC name is N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(4-methoxyphenyl)quinolin-4-amine.

Molecular Properties

Compound NameN-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(4-methoxyphenyl)quinolin-4-amine
PubChem CID164614671
Molecular FormulaC27H19F2N3O
Molecular Weight439.47 g/mol
Exact Mass439.15
IUPAC NameN-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(4-methoxyphenyl)quinolin-4-amine
SMILESCOc1ccc(-c2ccc3c(Nc4ccnc(-c5cc(F)ccc5F)c4)ccnc3c2)cc1
InChIInChI=1S/C27H19F2N3O/c1-33-21-6-2-17(3-7-21)18-4-8-22-25(11-13-31-26(22)14-18)32-20-10-12-30-27(16-20)23-15-19(28)5-9-24(23)29/h2-16H,1H3,(H,30,31,32)
InChIKeyNPBRDPDGKBGKSL-UHFFFAOYSA-N
XLogP6.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.47
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(4-methoxyphenyl)quinolin-4-amine?
The IUPAC name of N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(4-methoxyphenyl)quinolin-4-amine (CID 164614671) is N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(4-methoxyphenyl)quinolin-4-amine.
What is the SMILES notation for N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(4-methoxyphenyl)quinolin-4-amine?
The canonical SMILES for N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(4-methoxyphenyl)quinolin-4-amine is COc1ccc(-c2ccc3c(Nc4ccnc(-c5cc(F)ccc5F)c4)ccnc3c2)cc1.
What is the InChIKey of N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(4-methoxyphenyl)quinolin-4-amine?
The InChIKey is NPBRDPDGKBGKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F2N3O/c1-33-21-6-2-17(3-7-21)18-4-8-22-25(11-13-31-26(22)14-18)32-20-10-12-30-27(16-20)23-15-19(28)5-9-24(23)29/h2-16H,1H3,(H,30,31,32).
What are the key properties of N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(4-methoxyphenyl)quinolin-4-amine?
N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(4-methoxyphenyl)quinolin-4-amine has a molecular weight of 439.47 g/mol, XLogP of 6.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(4-methoxyphenyl)quinolin-4-amine is sourced from PubChem (CID 164614671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).