[4-[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone

C30H31F2N7O2 — CID 59631432

IUPAC[4-[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2CCN(c3nc4cc(F)cc(F)c4c(Nc4cncc(N5CCOCC5)c4)c3C)CC2)cn1
InChIInChI=1S/C30H31F2N7O2/c1-19-3-4-21(16-34-19)30(40)39-7-5-38(6-8-39)29-20(2)28(27-25(32)13-22(31)14-26(27)36-29)35-23-15-24(18-33-17-23)37-9-11-41-12-10-37/h3-4,13-18H,5-12H2,1-2H3,(H,35,36)
InChIKeyDPJPKHIVVZVBOG-UHFFFAOYSA-N
MW559.62 g/mol
LogP4.46
Rot. Bonds5

About [4-[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone

[4-[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone (PubChem CID 59631432) has the molecular formula C30H31F2N7O2 and a molecular weight of 559.62 g/mol. Its IUPAC name is [4-[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
PubChem CID59631432
Molecular FormulaC30H31F2N7O2
Molecular Weight559.62 g/mol
Exact Mass559.25
IUPAC Name[4-[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2CCN(c3nc4cc(F)cc(F)c4c(Nc4cncc(N5CCOCC5)c4)c3C)CC2)cn1
InChIInChI=1S/C30H31F2N7O2/c1-19-3-4-21(16-34-19)30(40)39-7-5-38(6-8-39)29-20(2)28(27-25(32)13-22(31)14-26(27)36-29)35-23-15-24(18-33-17-23)37-9-11-41-12-10-37/h3-4,13-18H,5-12H2,1-2H3,(H,35,36)
InChIKeyDPJPKHIVVZVBOG-UHFFFAOYSA-N
XLogP4.46
TPSA86.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.62
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [4-[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of [4-[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone (CID 59631432) is [4-[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [4-[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for [4-[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)N2CCN(c3nc4cc(F)cc(F)c4c(Nc4cncc(N5CCOCC5)c4)c3C)CC2)cn1.
What is the InChIKey of [4-[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The InChIKey is DPJPKHIVVZVBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F2N7O2/c1-19-3-4-21(16-34-19)30(40)39-7-5-38(6-8-39)29-20(2)28(27-25(32)13-22(31)14-26(27)36-29)35-23-15-24(18-33-17-23)37-9-11-41-12-10-37/h3-4,13-18H,5-12H2,1-2H3,(H,35,36).
What are the key properties of [4-[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone?
[4-[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone has a molecular weight of 559.62 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 59631432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).