5,7-difluoro-N-[5-(5-fluoro-6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine

C30H25F3N6O2 — CID 56597849

IUPAC5,7-difluoro-N-[5-(5-fluoro-6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCOc1ncc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)cc1F
InChIInChI=1S/C30H25F3N6O2/c1-17-28(23-5-3-4-6-34-23)38-25-13-19(31)12-21(32)27(25)29(17)37-24-14-26(39-7-9-41-10-8-39)35-16-20(24)18-11-22(33)30(40-2)36-15-18/h3-6,11-16H,7-10H2,1-2H3,(H,35,37,38)
InChIKeyYZKVDQQFUBNPEY-UHFFFAOYSA-N
MW558.56 g/mol
LogP6.07
Rot. Bonds6

About 5,7-difluoro-N-[5-(5-fluoro-6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine

5,7-difluoro-N-[5-(5-fluoro-6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 56597849) has the molecular formula C30H25F3N6O2 and a molecular weight of 558.56 g/mol. Its IUPAC name is 5,7-difluoro-N-[5-(5-fluoro-6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound Name5,7-difluoro-N-[5-(5-fluoro-6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
PubChem CID56597849
Molecular FormulaC30H25F3N6O2
Molecular Weight558.56 g/mol
Exact Mass558.20
IUPAC Name5,7-difluoro-N-[5-(5-fluoro-6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCOc1ncc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)cc1F
InChIInChI=1S/C30H25F3N6O2/c1-17-28(23-5-3-4-6-34-23)38-25-13-19(31)12-21(32)27(25)29(17)37-24-14-26(39-7-9-41-10-8-39)35-16-20(24)18-11-22(33)30(40-2)36-15-18/h3-6,11-16H,7-10H2,1-2H3,(H,35,37,38)
InChIKeyYZKVDQQFUBNPEY-UHFFFAOYSA-N
XLogP6.07
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.56
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5,7-difluoro-N-[5-(5-fluoro-6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-N-[5-(5-fluoro-6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of 5,7-difluoro-N-[5-(5-fluoro-6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 56597849) is 5,7-difluoro-N-[5-(5-fluoro-6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for 5,7-difluoro-N-[5-(5-fluoro-6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for 5,7-difluoro-N-[5-(5-fluoro-6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine is COc1ncc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)cc1F.
What is the InChIKey of 5,7-difluoro-N-[5-(5-fluoro-6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is YZKVDQQFUBNPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F3N6O2/c1-17-28(23-5-3-4-6-34-23)38-25-13-19(31)12-21(32)27(25)29(17)37-24-14-26(39-7-9-41-10-8-39)35-16-20(24)18-11-22(33)30(40-2)36-15-18/h3-6,11-16H,7-10H2,1-2H3,(H,35,37,38).
What are the key properties of 5,7-difluoro-N-[5-(5-fluoro-6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
5,7-difluoro-N-[5-(5-fluoro-6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 558.56 g/mol, XLogP of 6.07, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-N-[5-(5-fluoro-6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 56597849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).