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

C28H24F2N8O — CID 50906356

IUPACN-[5-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(-c2ccnc(N)n2)cnc1N1CCOCC1
InChIInChI=1S/C28H24F2N8O/c1-16-25(21-4-2-3-6-32-21)35-22-14-18(29)13-19(30)24(22)26(16)36-23-12-17(20-5-7-33-28(31)37-20)15-34-27(23)38-8-10-39-11-9-38/h2-7,12-15H,8-11H2,1H3,(H,35,36)(H2,31,33,37)
InChIKeyQQUNWOFMOUHMJP-UHFFFAOYSA-N
MW526.55 g/mol
LogP4.90
Rot. Bonds5

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

N-[5-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 50906356) has the molecular formula C28H24F2N8O and a molecular weight of 526.55 g/mol. Its IUPAC name is N-[5-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound NameN-[5-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
PubChem CID50906356
Molecular FormulaC28H24F2N8O
Molecular Weight526.55 g/mol
Exact Mass526.20
IUPAC NameN-[5-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(-c2ccnc(N)n2)cnc1N1CCOCC1
InChIInChI=1S/C28H24F2N8O/c1-16-25(21-4-2-3-6-32-21)35-22-14-18(29)13-19(30)24(22)26(16)36-23-12-17(20-5-7-33-28(31)37-20)15-34-27(23)38-8-10-39-11-9-38/h2-7,12-15H,8-11H2,1H3,(H,35,36)(H2,31,33,37)
InChIKeyQQUNWOFMOUHMJP-UHFFFAOYSA-N
XLogP4.90
TPSA114.97 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.55
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of N-[5-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 50906356) is N-[5-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for N-[5-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for N-[5-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(-c2ccnc(N)n2)cnc1N1CCOCC1.
What is the InChIKey of N-[5-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is QQUNWOFMOUHMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F2N8O/c1-16-25(21-4-2-3-6-32-21)35-22-14-18(29)13-19(30)24(22)26(16)36-23-12-17(20-5-7-33-28(31)37-20)15-34-27(23)38-8-10-39-11-9-38/h2-7,12-15H,8-11H2,1H3,(H,35,36)(H2,31,33,37).
What are the key properties of N-[5-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
N-[5-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 526.55 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 50906356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).