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

C23H23F2N5O2 — CID 123185490

IUPAC1-[5,7-difluoro-3-methyl-4-[morpholin-2-yl(pyridin-2-yl)amino]quinolin-2-yl]pyrrolidin-2-one
SMILESCc1c(N2CCCC2=O)nc2cc(F)cc(F)c2c1N(c1ccccn1)C1CNCCO1
InChIInChI=1S/C23H23F2N5O2/c1-14-22(30(18-5-2-3-7-27-18)20-13-26-8-10-32-20)21-16(25)11-15(24)12-17(21)28-23(14)29-9-4-6-19(29)31/h2-3,5,7,11-12,20,26H,4,6,8-10,13H2,1H3
InChIKeySVKIDCFRERQSJS-UHFFFAOYSA-N
MW439.47 g/mol
LogP3.43
Rot. Bonds4

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

1-[5,7-difluoro-3-methyl-4-[morpholin-2-yl(pyridin-2-yl)amino]quinolin-2-yl]pyrrolidin-2-one (PubChem CID 123185490) has the molecular formula C23H23F2N5O2 and a molecular weight of 439.47 g/mol. Its IUPAC name is 1-[5,7-difluoro-3-methyl-4-[morpholin-2-yl(pyridin-2-yl)amino]quinolin-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[5,7-difluoro-3-methyl-4-[morpholin-2-yl(pyridin-2-yl)amino]quinolin-2-yl]pyrrolidin-2-one
PubChem CID123185490
Molecular FormulaC23H23F2N5O2
Molecular Weight439.47 g/mol
Exact Mass439.18
IUPAC Name1-[5,7-difluoro-3-methyl-4-[morpholin-2-yl(pyridin-2-yl)amino]quinolin-2-yl]pyrrolidin-2-one
SMILESCc1c(N2CCCC2=O)nc2cc(F)cc(F)c2c1N(c1ccccn1)C1CNCCO1
InChIInChI=1S/C23H23F2N5O2/c1-14-22(30(18-5-2-3-7-27-18)20-13-26-8-10-32-20)21-16(25)11-15(24)12-17(21)28-23(14)29-9-4-6-19(29)31/h2-3,5,7,11-12,20,26H,4,6,8-10,13H2,1H3
InChIKeySVKIDCFRERQSJS-UHFFFAOYSA-N
XLogP3.43
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 53.43
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-2-yl(pyridin-2-yl)amino]quinolin-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[5,7-difluoro-3-methyl-4-[morpholin-2-yl(pyridin-2-yl)amino]quinolin-2-yl]pyrrolidin-2-one (CID 123185490) is 1-[5,7-difluoro-3-methyl-4-[morpholin-2-yl(pyridin-2-yl)amino]quinolin-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[5,7-difluoro-3-methyl-4-[morpholin-2-yl(pyridin-2-yl)amino]quinolin-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[5,7-difluoro-3-methyl-4-[morpholin-2-yl(pyridin-2-yl)amino]quinolin-2-yl]pyrrolidin-2-one is Cc1c(N2CCCC2=O)nc2cc(F)cc(F)c2c1N(c1ccccn1)C1CNCCO1.
What is the InChIKey of 1-[5,7-difluoro-3-methyl-4-[morpholin-2-yl(pyridin-2-yl)amino]quinolin-2-yl]pyrrolidin-2-one?
The InChIKey is SVKIDCFRERQSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N5O2/c1-14-22(30(18-5-2-3-7-27-18)20-13-26-8-10-32-20)21-16(25)11-15(24)12-17(21)28-23(14)29-9-4-6-19(29)31/h2-3,5,7,11-12,20,26H,4,6,8-10,13H2,1H3.
What are the key properties of 1-[5,7-difluoro-3-methyl-4-[morpholin-2-yl(pyridin-2-yl)amino]quinolin-2-yl]pyrrolidin-2-one?
1-[5,7-difluoro-3-methyl-4-[morpholin-2-yl(pyridin-2-yl)amino]quinolin-2-yl]pyrrolidin-2-one has a molecular weight of 439.47 g/mol, XLogP of 3.43, 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-2-yl(pyridin-2-yl)amino]quinolin-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 123185490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).