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

C30H26F2N6O2 — CID 50907603

IUPAC5,7-difluoro-N-[2-(5-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCOc1cncc(-c2ncc(N3CCOCC3)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)c1
InChIInChI=1S/C30H26F2N6O2/c1-18-28(24-5-3-4-6-34-24)36-25-13-20(31)12-23(32)27(25)29(18)37-26-14-21(38-7-9-40-10-8-38)16-35-30(26)19-11-22(39-2)17-33-15-19/h3-6,11-17H,7-10H2,1-2H3,(H,36,37)
InChIKeyIBCVPSHWZFDFGD-UHFFFAOYSA-N
MW540.57 g/mol
LogP5.93
Rot. Bonds6

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

5,7-difluoro-N-[2-(5-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 50907603) has the molecular formula C30H26F2N6O2 and a molecular weight of 540.57 g/mol. Its IUPAC name is 5,7-difluoro-N-[2-(5-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound Name5,7-difluoro-N-[2-(5-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
PubChem CID50907603
Molecular FormulaC30H26F2N6O2
Molecular Weight540.57 g/mol
Exact Mass540.21
IUPAC Name5,7-difluoro-N-[2-(5-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCOc1cncc(-c2ncc(N3CCOCC3)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)c1
InChIInChI=1S/C30H26F2N6O2/c1-18-28(24-5-3-4-6-34-24)36-25-13-20(31)12-23(32)27(25)29(18)37-26-14-21(38-7-9-40-10-8-38)16-35-30(26)19-11-22(39-2)17-33-15-19/h3-6,11-17H,7-10H2,1-2H3,(H,36,37)
InChIKeyIBCVPSHWZFDFGD-UHFFFAOYSA-N
XLogP5.93
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.57
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-N-[2-(5-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of 5,7-difluoro-N-[2-(5-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 50907603) is 5,7-difluoro-N-[2-(5-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for 5,7-difluoro-N-[2-(5-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for 5,7-difluoro-N-[2-(5-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine is COc1cncc(-c2ncc(N3CCOCC3)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)c1.
What is the InChIKey of 5,7-difluoro-N-[2-(5-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is IBCVPSHWZFDFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F2N6O2/c1-18-28(24-5-3-4-6-34-24)36-25-13-20(31)12-23(32)27(25)29(18)37-26-14-21(38-7-9-40-10-8-38)16-35-30(26)19-11-22(39-2)17-33-15-19/h3-6,11-17H,7-10H2,1-2H3,(H,36,37).
What are the key properties of 5,7-difluoro-N-[2-(5-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
5,7-difluoro-N-[2-(5-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 540.57 g/mol, XLogP of 5.93, 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-[2-(5-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 50907603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).