1-[5,7-difluoro-3-methyl-4-[morpholin-3-yl(pyridin-3-yl)amino]quinolin-2-yl]-5,5-dimethylpiperidin-2-one

C26H29F2N5O2 — CID 90940562

IUPAC1-[5,7-difluoro-3-methyl-4-[morpholin-3-yl(pyridin-3-yl)amino]quinolin-2-yl]-5,5-dimethylpiperidin-2-one
SMILESCc1c(N2CC(C)(C)CCC2=O)nc2cc(F)cc(F)c2c1N(c1cccnc1)C1COCCN1
InChIInChI=1S/C26H29F2N5O2/c1-16-24(33(18-5-4-8-29-13-18)21-14-35-10-9-30-21)23-19(28)11-17(27)12-20(23)31-25(16)32-15-26(2,3)7-6-22(32)34/h4-5,8,11-13,21,30H,6-7,9-10,14-15H2,1-3H3
InChIKeyVHJXBLLTOVNXAS-UHFFFAOYSA-N
MW481.55 g/mol
LogP4.45
Rot. Bonds4

About 1-[5,7-difluoro-3-methyl-4-[morpholin-3-yl(pyridin-3-yl)amino]quinolin-2-yl]-5,5-dimethylpiperidin-2-one

1-[5,7-difluoro-3-methyl-4-[morpholin-3-yl(pyridin-3-yl)amino]quinolin-2-yl]-5,5-dimethylpiperidin-2-one (PubChem CID 90940562) has the molecular formula C26H29F2N5O2 and a molecular weight of 481.55 g/mol. Its IUPAC name is 1-[5,7-difluoro-3-methyl-4-[morpholin-3-yl(pyridin-3-yl)amino]quinolin-2-yl]-5,5-dimethylpiperidin-2-one.

Molecular Properties

Compound Name1-[5,7-difluoro-3-methyl-4-[morpholin-3-yl(pyridin-3-yl)amino]quinolin-2-yl]-5,5-dimethylpiperidin-2-one
PubChem CID90940562
Molecular FormulaC26H29F2N5O2
Molecular Weight481.55 g/mol
Exact Mass481.23
IUPAC Name1-[5,7-difluoro-3-methyl-4-[morpholin-3-yl(pyridin-3-yl)amino]quinolin-2-yl]-5,5-dimethylpiperidin-2-one
SMILESCc1c(N2CC(C)(C)CCC2=O)nc2cc(F)cc(F)c2c1N(c1cccnc1)C1COCCN1
InChIInChI=1S/C26H29F2N5O2/c1-16-24(33(18-5-4-8-29-13-18)21-14-35-10-9-30-21)23-19(28)11-17(27)12-20(23)31-25(16)32-15-26(2,3)7-6-22(32)34/h4-5,8,11-13,21,30H,6-7,9-10,14-15H2,1-3H3
InChIKeyVHJXBLLTOVNXAS-UHFFFAOYSA-N
XLogP4.45
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5,7-difluoro-3-methyl-4-[morpholin-3-yl(pyridin-3-yl)amino]quinolin-2-yl]-5,5-dimethylpiperidin-2-one?
The IUPAC name of 1-[5,7-difluoro-3-methyl-4-[morpholin-3-yl(pyridin-3-yl)amino]quinolin-2-yl]-5,5-dimethylpiperidin-2-one (CID 90940562) is 1-[5,7-difluoro-3-methyl-4-[morpholin-3-yl(pyridin-3-yl)amino]quinolin-2-yl]-5,5-dimethylpiperidin-2-one.
What is the SMILES notation for 1-[5,7-difluoro-3-methyl-4-[morpholin-3-yl(pyridin-3-yl)amino]quinolin-2-yl]-5,5-dimethylpiperidin-2-one?
The canonical SMILES for 1-[5,7-difluoro-3-methyl-4-[morpholin-3-yl(pyridin-3-yl)amino]quinolin-2-yl]-5,5-dimethylpiperidin-2-one is Cc1c(N2CC(C)(C)CCC2=O)nc2cc(F)cc(F)c2c1N(c1cccnc1)C1COCCN1.
What is the InChIKey of 1-[5,7-difluoro-3-methyl-4-[morpholin-3-yl(pyridin-3-yl)amino]quinolin-2-yl]-5,5-dimethylpiperidin-2-one?
The InChIKey is VHJXBLLTOVNXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N5O2/c1-16-24(33(18-5-4-8-29-13-18)21-14-35-10-9-30-21)23-19(28)11-17(27)12-20(23)31-25(16)32-15-26(2,3)7-6-22(32)34/h4-5,8,11-13,21,30H,6-7,9-10,14-15H2,1-3H3.
What are the key properties of 1-[5,7-difluoro-3-methyl-4-[morpholin-3-yl(pyridin-3-yl)amino]quinolin-2-yl]-5,5-dimethylpiperidin-2-one?
1-[5,7-difluoro-3-methyl-4-[morpholin-3-yl(pyridin-3-yl)amino]quinolin-2-yl]-5,5-dimethylpiperidin-2-one has a molecular weight of 481.55 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5,7-difluoro-3-methyl-4-[morpholin-3-yl(pyridin-3-yl)amino]quinolin-2-yl]-5,5-dimethylpiperidin-2-one is sourced from PubChem (CID 90940562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).