N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,8-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine

C28H28F2N6O2 — CID 50906358

IUPACN-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,8-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2c(F)ccc(F)c2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1
InChIInChI=1S/C28H28F2N6O2/c1-18-25(22-4-2-3-7-31-22)34-27-21(30)6-5-20(29)24(27)26(18)33-23-16-19(35-8-12-37-13-9-35)17-32-28(23)36-10-14-38-15-11-36/h2-7,16-17H,8-15H2,1H3,(H,33,34)
InChIKeyRJGWMFZCPOQKSX-UHFFFAOYSA-N
MW518.57 g/mol
LogP4.70
Rot. Bonds5

About N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,8-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine

N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,8-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 50906358) has the molecular formula C28H28F2N6O2 and a molecular weight of 518.57 g/mol. Its IUPAC name is N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,8-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound NameN-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,8-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
PubChem CID50906358
Molecular FormulaC28H28F2N6O2
Molecular Weight518.57 g/mol
Exact Mass518.22
IUPAC NameN-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,8-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2c(F)ccc(F)c2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1
InChIInChI=1S/C28H28F2N6O2/c1-18-25(22-4-2-3-7-31-22)34-27-21(30)6-5-20(29)24(27)26(18)33-23-16-19(35-8-12-37-13-9-35)17-32-28(23)36-10-14-38-15-11-36/h2-7,16-17H,8-15H2,1H3,(H,33,34)
InChIKeyRJGWMFZCPOQKSX-UHFFFAOYSA-N
XLogP4.70
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.57
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,8-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,8-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 50906358) is N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,8-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,8-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,8-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is Cc1c(-c2ccccn2)nc2c(F)ccc(F)c2c1Nc1cc(N2CCOCC2)cnc1N1CCOCC1.
What is the InChIKey of N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,8-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is RJGWMFZCPOQKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F2N6O2/c1-18-25(22-4-2-3-7-31-22)34-27-21(30)6-5-20(29)24(27)26(18)33-23-16-19(35-8-12-37-13-9-35)17-32-28(23)36-10-14-38-15-11-36/h2-7,16-17H,8-15H2,1H3,(H,33,34).
What are the key properties of N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,8-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,8-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 518.57 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,8-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 50906358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).