N-[2,5-bis(2-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine

C34H26F2N4O2 — CID 59631438

IUPACN-[2,5-bis(2-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCOc1ccccc1-c1cnc(-c2ccccc2OC)c(Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)c1
InChIInChI=1S/C34H26F2N4O2/c1-20-32(26-12-8-9-15-37-26)39-27-18-22(35)17-25(36)31(27)33(20)40-28-16-21(23-10-4-6-13-29(23)41-2)19-38-34(28)24-11-5-7-14-30(24)42-3/h4-19H,1-3H3,(H,39,40)
InChIKeyUZCMGDOAQZJLJS-UHFFFAOYSA-N
MW560.60 g/mol
LogP8.37
Rot. Bonds7

About N-[2,5-bis(2-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine

N-[2,5-bis(2-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 59631438) has the molecular formula C34H26F2N4O2 and a molecular weight of 560.60 g/mol. Its IUPAC name is N-[2,5-bis(2-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound NameN-[2,5-bis(2-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
PubChem CID59631438
Molecular FormulaC34H26F2N4O2
Molecular Weight560.60 g/mol
Exact Mass560.20
IUPAC NameN-[2,5-bis(2-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCOc1ccccc1-c1cnc(-c2ccccc2OC)c(Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)c1
InChIInChI=1S/C34H26F2N4O2/c1-20-32(26-12-8-9-15-37-26)39-27-18-22(35)17-25(36)31(27)33(20)40-28-16-21(23-10-4-6-13-29(23)41-2)19-38-34(28)24-11-5-7-14-30(24)42-3/h4-19H,1-3H3,(H,39,40)
InChIKeyUZCMGDOAQZJLJS-UHFFFAOYSA-N
XLogP8.37
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.60
LogP ≤ 58.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2,5-bis(2-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of N-[2,5-bis(2-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 59631438) is N-[2,5-bis(2-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for N-[2,5-bis(2-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for N-[2,5-bis(2-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is COc1ccccc1-c1cnc(-c2ccccc2OC)c(Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)c1.
What is the InChIKey of N-[2,5-bis(2-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is UZCMGDOAQZJLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26F2N4O2/c1-20-32(26-12-8-9-15-37-26)39-27-18-22(35)17-25(36)31(27)33(20)40-28-16-21(23-10-4-6-13-29(23)41-2)19-38-34(28)24-11-5-7-14-30(24)42-3/h4-19H,1-3H3,(H,39,40).
What are the key properties of N-[2,5-bis(2-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
N-[2,5-bis(2-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 560.60 g/mol, XLogP of 8.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-bis(2-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 59631438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).