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

C31H27F2N7O2 — CID 56597681

IUPACN-[5-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)cn1
InChIInChI=1S/C31H27F2N7O2/c1-18-30(24-5-3-4-8-34-24)39-26-14-21(32)13-23(33)29(26)31(18)38-25-15-28(40-9-11-42-12-10-40)36-17-22(25)20-6-7-27(35-16-20)37-19(2)41/h3-8,13-17H,9-12H2,1-2H3,(H,35,37,41)(H,36,38,39)
InChIKeyZCEUGQVWKQVMRS-UHFFFAOYSA-N
MW567.60 g/mol
LogP5.88
Rot. Bonds6

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

N-[5-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 56597681) has the molecular formula C31H27F2N7O2 and a molecular weight of 567.60 g/mol. Its IUPAC name is N-[5-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID56597681
Molecular FormulaC31H27F2N7O2
Molecular Weight567.60 g/mol
Exact Mass567.22
IUPAC NameN-[5-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)cn1
InChIInChI=1S/C31H27F2N7O2/c1-18-30(24-5-3-4-8-34-24)39-26-14-21(32)13-23(33)29(26)31(18)38-25-15-28(40-9-11-42-12-10-40)36-17-22(25)20-6-7-27(35-16-20)37-19(2)41/h3-8,13-17H,9-12H2,1-2H3,(H,35,37,41)(H,36,38,39)
InChIKeyZCEUGQVWKQVMRS-UHFFFAOYSA-N
XLogP5.88
TPSA105.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.60
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-2-pyridinyl]acetamide (CID 56597681) is N-[5-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1ccc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)cn1.
What is the InChIKey of N-[5-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is ZCEUGQVWKQVMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27F2N7O2/c1-18-30(24-5-3-4-8-34-24)39-26-14-21(32)13-23(33)29(26)31(18)38-25-15-28(40-9-11-42-12-10-40)36-17-22(25)20-6-7-27(35-16-20)37-19(2)41/h3-8,13-17H,9-12H2,1-2H3,(H,35,37,41)(H,36,38,39).
What are the key properties of N-[5-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-2-pyridinyl]acetamide?
N-[5-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 567.60 g/mol, XLogP of 5.88, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 56597681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).