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

C30H27FN6O2 — CID 66632133

IUPAC5-fluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCOc1cncc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(-c3ccccn3)nc3cccc(F)c23)c1
InChIInChI=1S/C30H27FN6O2/c1-19-29(25-7-3-4-9-33-25)35-24-8-5-6-23(31)28(24)30(19)36-26-15-27(37-10-12-39-13-11-37)34-18-22(26)20-14-21(38-2)17-32-16-20/h3-9,14-18H,10-13H2,1-2H3,(H,34,35,36)
InChIKeyKSKHBAZKKAGYBZ-UHFFFAOYSA-N
MW522.58 g/mol
LogP5.79
Rot. Bonds6

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

5-fluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 66632133) has the molecular formula C30H27FN6O2 and a molecular weight of 522.58 g/mol. Its IUPAC name is 5-fluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound Name5-fluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
PubChem CID66632133
Molecular FormulaC30H27FN6O2
Molecular Weight522.58 g/mol
Exact Mass522.22
IUPAC Name5-fluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCOc1cncc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(-c3ccccn3)nc3cccc(F)c23)c1
InChIInChI=1S/C30H27FN6O2/c1-19-29(25-7-3-4-9-33-25)35-24-8-5-6-23(31)28(24)30(19)36-26-15-27(37-10-12-39-13-11-37)34-18-22(26)20-14-21(38-2)17-32-16-20/h3-9,14-18H,10-13H2,1-2H3,(H,34,35,36)
InChIKeyKSKHBAZKKAGYBZ-UHFFFAOYSA-N
XLogP5.79
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.58
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of 5-fluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 66632133) is 5-fluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for 5-fluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for 5-fluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine is COc1cncc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(-c3ccccn3)nc3cccc(F)c23)c1.
What is the InChIKey of 5-fluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is KSKHBAZKKAGYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27FN6O2/c1-19-29(25-7-3-4-9-33-25)35-24-8-5-6-23(31)28(24)30(19)36-26-15-27(37-10-12-39-13-11-37)34-18-22(26)20-14-21(38-2)17-32-16-20/h3-9,14-18H,10-13H2,1-2H3,(H,34,35,36).
What are the key properties of 5-fluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
5-fluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 522.58 g/mol, XLogP of 5.79, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 66632133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).