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

C23H23F2N5O2 — CID 59631561

IUPAC1-[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]pyrrolidin-2-one
SMILESCc1c(N2CCCC2=O)nc2cc(F)cc(F)c2c1Nc1cncc(N2CCOCC2)c1
InChIInChI=1S/C23H23F2N5O2/c1-14-22(27-16-11-17(13-26-12-16)29-5-7-32-8-6-29)21-18(25)9-15(24)10-19(21)28-23(14)30-4-2-3-20(30)31/h9-13H,2-8H2,1H3,(H,27,28)
InChIKeyHFXMIBFTXFBLDB-UHFFFAOYSA-N
MW439.47 g/mol
LogP3.92
Rot. Bonds4

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

1-[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]pyrrolidin-2-one (PubChem CID 59631561) 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-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]pyrrolidin-2-one
PubChem CID59631561
Molecular FormulaC23H23F2N5O2
Molecular Weight439.47 g/mol
Exact Mass439.18
IUPAC Name1-[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]pyrrolidin-2-one
SMILESCc1c(N2CCCC2=O)nc2cc(F)cc(F)c2c1Nc1cncc(N2CCOCC2)c1
InChIInChI=1S/C23H23F2N5O2/c1-14-22(27-16-11-17(13-26-12-16)29-5-7-32-8-6-29)21-18(25)9-15(24)10-19(21)28-23(14)30-4-2-3-20(30)31/h9-13H,2-8H2,1H3,(H,27,28)
InChIKeyHFXMIBFTXFBLDB-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]-4,4-dimethylpyrrolidin-2-one
CID 57449770
1-[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]-5,5-dimethylpiperidin-2-one;5,5-dimethylpiperidin-2-one
CID 67507635
1-[5,7-difluoro-3-methyl-4-[(2-morpholin-4-yl-5-pyrimidin-5-yl-4-pyridinyl)amino]quinolin-2-yl]pyrrolidin-2-one
CID 66632551
methyl (2R)-4-[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]-2-methylpiperazine-1-carboxylate
CID 59631555
[4-[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone;5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-piperazin-1-ylquinolin-4-amine
CID 161084847
[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;5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-piperazin-1-ylquinolin-4-amine
CID 158287429
N-[3-[[7-fluoro-3-methyl-2-(2-oxopyrrolidin-1-yl)quinolin-4-yl]amino]-5-morpholin-4-ylphenyl]acetamide
CID 59631301
2-[6-(dimethylamino)-3-pyridinyl]-5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)quinolin-4-amine
CID 59631326
5-[[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]methyl]pyrrolidine-2-carboxamide
CID 123253200
1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)piperidin-2-one
CID 59631552
1-[4-[[5-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-4-pyridinyl]amino]-5,7-difluoro-3-methylquinolin-2-yl]piperidin-2-one;tert-butyl N-[5-[4-[[5,7-difluoro-3-methyl-2-(2-oxopiperidin-1-yl)quinolin-4-yl]amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidin-2-yl]carbamate
CID 89485684
4-chloro-2-(5-chloro-3-pyridinyl)-5,7-difluoro-3-methylquinoline;2-(5-chloro-3-pyridinyl)-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methylquinolin-4-amine
CID 159171837

Frequently Asked Questions

What is the IUPAC name of 1-[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]pyrrolidin-2-one (CID 59631561) is 1-[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]pyrrolidin-2-one is Cc1c(N2CCCC2=O)nc2cc(F)cc(F)c2c1Nc1cncc(N2CCOCC2)c1.
What is the InChIKey of 1-[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]pyrrolidin-2-one?
The InChIKey is HFXMIBFTXFBLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N5O2/c1-14-22(27-16-11-17(13-26-12-16)29-5-7-32-8-6-29)21-18(25)9-15(24)10-19(21)28-23(14)30-4-2-3-20(30)31/h9-13H,2-8H2,1H3,(H,27,28).
What are the key properties of 1-[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]pyrrolidin-2-one?
1-[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]pyrrolidin-2-one has a molecular weight of 439.47 g/mol, XLogP of 3.92, 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-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 59631561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).