1-[5,7-difluoro-4-[[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]amino]-3-methylquinolin-2-yl]piperidin-2-one

C30H30F2N6O3 — CID 66631710

IUPAC1-[5,7-difluoro-4-[[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]amino]-3-methylquinolin-2-yl]piperidin-2-one
SMILESCOc1cncc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(N3CCCCC3=O)nc3cc(F)cc(F)c23)c1
InChIInChI=1S/C30H30F2N6O3/c1-18-29(28-23(32)12-20(31)13-25(28)36-30(18)38-6-4-3-5-27(38)39)35-24-14-26(37-7-9-41-10-8-37)34-17-22(24)19-11-21(40-2)16-33-15-19/h11-17H,3-10H2,1-2H3,(H,34,35,36)
InChIKeyQJFOZYCHRRFMFH-UHFFFAOYSA-N
MW560.61 g/mol
LogP5.38
Rot. Bonds6

About 1-[5,7-difluoro-4-[[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]amino]-3-methylquinolin-2-yl]piperidin-2-one

1-[5,7-difluoro-4-[[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]amino]-3-methylquinolin-2-yl]piperidin-2-one (PubChem CID 66631710) has the molecular formula C30H30F2N6O3 and a molecular weight of 560.61 g/mol. Its IUPAC name is 1-[5,7-difluoro-4-[[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]amino]-3-methylquinolin-2-yl]piperidin-2-one.

Molecular Properties

Compound Name1-[5,7-difluoro-4-[[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]amino]-3-methylquinolin-2-yl]piperidin-2-one
PubChem CID66631710
Molecular FormulaC30H30F2N6O3
Molecular Weight560.61 g/mol
Exact Mass560.23
IUPAC Name1-[5,7-difluoro-4-[[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]amino]-3-methylquinolin-2-yl]piperidin-2-one
SMILESCOc1cncc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(N3CCCCC3=O)nc3cc(F)cc(F)c23)c1
InChIInChI=1S/C30H30F2N6O3/c1-18-29(28-23(32)12-20(31)13-25(28)36-30(18)38-6-4-3-5-27(38)39)35-24-14-26(37-7-9-41-10-8-37)34-17-22(24)19-11-21(40-2)16-33-15-19/h11-17H,3-10H2,1-2H3,(H,34,35,36)
InChIKeyQJFOZYCHRRFMFH-UHFFFAOYSA-N
XLogP5.38
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.61
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[5,7-difluoro-4-[[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]amino]-3-methylquinolin-2-yl]piperidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5,7-difluoro-4-[[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]amino]-3-methylquinolin-2-yl]piperidin-2-one?
The IUPAC name of 1-[5,7-difluoro-4-[[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]amino]-3-methylquinolin-2-yl]piperidin-2-one (CID 66631710) is 1-[5,7-difluoro-4-[[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]amino]-3-methylquinolin-2-yl]piperidin-2-one.
What is the SMILES notation for 1-[5,7-difluoro-4-[[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]amino]-3-methylquinolin-2-yl]piperidin-2-one?
The canonical SMILES for 1-[5,7-difluoro-4-[[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]amino]-3-methylquinolin-2-yl]piperidin-2-one is COc1cncc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(N3CCCCC3=O)nc3cc(F)cc(F)c23)c1.
What is the InChIKey of 1-[5,7-difluoro-4-[[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]amino]-3-methylquinolin-2-yl]piperidin-2-one?
The InChIKey is QJFOZYCHRRFMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F2N6O3/c1-18-29(28-23(32)12-20(31)13-25(28)36-30(18)38-6-4-3-5-27(38)39)35-24-14-26(37-7-9-41-10-8-37)34-17-22(24)19-11-21(40-2)16-33-15-19/h11-17H,3-10H2,1-2H3,(H,34,35,36).
What are the key properties of 1-[5,7-difluoro-4-[[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]amino]-3-methylquinolin-2-yl]piperidin-2-one?
1-[5,7-difluoro-4-[[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]amino]-3-methylquinolin-2-yl]piperidin-2-one has a molecular weight of 560.61 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5,7-difluoro-4-[[5-(5-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]amino]-3-methylquinolin-2-yl]piperidin-2-one is sourced from PubChem (CID 66631710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).