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

C31H28F2N6O2 — CID 50907605

IUPACN-[2-(6-ethoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCCOc1ccc(-c2ncc(N3CCOCC3)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)cn1
InChIInChI=1S/C31H28F2N6O2/c1-3-41-27-8-7-20(17-35-27)31-26(16-22(18-36-31)39-10-12-40-13-11-39)38-30-19(2)29(24-6-4-5-9-34-24)37-25-15-21(32)14-23(33)28(25)30/h4-9,14-18H,3,10-13H2,1-2H3,(H,37,38)
InChIKeyOBCJOLLATPSQKS-UHFFFAOYSA-N
MW554.60 g/mol
LogP6.32
Rot. Bonds7

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

N-[2-(6-ethoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 50907605) has the molecular formula C31H28F2N6O2 and a molecular weight of 554.60 g/mol. Its IUPAC name is N-[2-(6-ethoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound NameN-[2-(6-ethoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
PubChem CID50907605
Molecular FormulaC31H28F2N6O2
Molecular Weight554.60 g/mol
Exact Mass554.22
IUPAC NameN-[2-(6-ethoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCCOc1ccc(-c2ncc(N3CCOCC3)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)cn1
InChIInChI=1S/C31H28F2N6O2/c1-3-41-27-8-7-20(17-35-27)31-26(16-22(18-36-31)39-10-12-40-13-11-39)38-30-19(2)29(24-6-4-5-9-34-24)37-25-15-21(32)14-23(33)28(25)30/h4-9,14-18H,3,10-13H2,1-2H3,(H,37,38)
InChIKeyOBCJOLLATPSQKS-UHFFFAOYSA-N
XLogP6.32
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.60
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-ethoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of N-[2-(6-ethoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 50907605) is N-[2-(6-ethoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for N-[2-(6-ethoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for N-[2-(6-ethoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is CCOc1ccc(-c2ncc(N3CCOCC3)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)cn1.
What is the InChIKey of N-[2-(6-ethoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is OBCJOLLATPSQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28F2N6O2/c1-3-41-27-8-7-20(17-35-27)31-26(16-22(18-36-31)39-10-12-40-13-11-39)38-30-19(2)29(24-6-4-5-9-34-24)37-25-15-21(32)14-23(33)28(25)30/h4-9,14-18H,3,10-13H2,1-2H3,(H,37,38).
What are the key properties of N-[2-(6-ethoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
N-[2-(6-ethoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 554.60 g/mol, XLogP of 6.32, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-ethoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 50907605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).