4-[1-(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-2-(2-methoxy-4-pyridinyl)-2H-pyridin-5-yl]morpholine

C30H27F2N5O2 — CID 118976547

IUPAC4-[1-(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-2-(2-methoxy-4-pyridinyl)-2H-pyridin-5-yl]morpholine
SMILESCOc1cc(C2C=CC(N3CCOCC3)=CN2c2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)ccn1
InChIInChI=1S/C30H27F2N5O2/c1-19-29(24-5-3-4-9-33-24)35-25-17-21(31)16-23(32)28(25)30(19)37-18-22(36-11-13-39-14-12-36)6-7-26(37)20-8-10-34-27(15-20)38-2/h3-10,15-18,26H,11-14H2,1-2H3
InChIKeySTAOCPOTQPYCCY-UHFFFAOYSA-N
MW527.58 g/mol
LogP5.58
Rot. Bonds5

About 4-[1-(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-2-(2-methoxy-4-pyridinyl)-2H-pyridin-5-yl]morpholine

4-[1-(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-2-(2-methoxy-4-pyridinyl)-2H-pyridin-5-yl]morpholine (PubChem CID 118976547) has the molecular formula C30H27F2N5O2 and a molecular weight of 527.58 g/mol. Its IUPAC name is 4-[1-(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-2-(2-methoxy-4-pyridinyl)-2H-pyridin-5-yl]morpholine.

Molecular Properties

Compound Name4-[1-(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-2-(2-methoxy-4-pyridinyl)-2H-pyridin-5-yl]morpholine
PubChem CID118976547
Molecular FormulaC30H27F2N5O2
Molecular Weight527.58 g/mol
Exact Mass527.21
IUPAC Name4-[1-(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-2-(2-methoxy-4-pyridinyl)-2H-pyridin-5-yl]morpholine
SMILESCOc1cc(C2C=CC(N3CCOCC3)=CN2c2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)ccn1
InChIInChI=1S/C30H27F2N5O2/c1-19-29(24-5-3-4-9-33-24)35-25-17-21(31)16-23(32)28(25)30(19)37-18-22(36-11-13-39-14-12-36)6-7-26(37)20-8-10-34-27(15-20)38-2/h3-10,15-18,26H,11-14H2,1-2H3
InChIKeySTAOCPOTQPYCCY-UHFFFAOYSA-N
XLogP5.58
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.58
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-2-(2-methoxy-4-pyridinyl)-2H-pyridin-5-yl]morpholine?
The IUPAC name of 4-[1-(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-2-(2-methoxy-4-pyridinyl)-2H-pyridin-5-yl]morpholine (CID 118976547) is 4-[1-(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-2-(2-methoxy-4-pyridinyl)-2H-pyridin-5-yl]morpholine.
What is the SMILES notation for 4-[1-(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-2-(2-methoxy-4-pyridinyl)-2H-pyridin-5-yl]morpholine?
The canonical SMILES for 4-[1-(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-2-(2-methoxy-4-pyridinyl)-2H-pyridin-5-yl]morpholine is COc1cc(C2C=CC(N3CCOCC3)=CN2c2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)ccn1.
What is the InChIKey of 4-[1-(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-2-(2-methoxy-4-pyridinyl)-2H-pyridin-5-yl]morpholine?
The InChIKey is STAOCPOTQPYCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27F2N5O2/c1-19-29(24-5-3-4-9-33-24)35-25-17-21(31)16-23(32)28(25)30(19)37-18-22(36-11-13-39-14-12-36)6-7-26(37)20-8-10-34-27(15-20)38-2/h3-10,15-18,26H,11-14H2,1-2H3.
What are the key properties of 4-[1-(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-2-(2-methoxy-4-pyridinyl)-2H-pyridin-5-yl]morpholine?
4-[1-(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-2-(2-methoxy-4-pyridinyl)-2H-pyridin-5-yl]morpholine has a molecular weight of 527.58 g/mol, XLogP of 5.58, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-2-(2-methoxy-4-pyridinyl)-2H-pyridin-5-yl]morpholine is sourced from PubChem (CID 118976547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).