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

C25H27F2N5O2 — CID 57449770

IUPAC1-[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]-4,4-dimethylpyrrolidin-2-one
SMILESCc1c(N2CC(C)(C)CC2=O)nc2cc(F)cc(F)c2c1Nc1cncc(N2CCOCC2)c1
InChIInChI=1S/C25H27F2N5O2/c1-15-23(29-17-10-18(13-28-12-17)31-4-6-34-7-5-31)22-19(27)8-16(26)9-20(22)30-24(15)32-14-25(2,3)11-21(32)33/h8-10,12-13H,4-7,11,14H2,1-3H3,(H,29,30)
InChIKeyJSBNHJCQQHLZBO-UHFFFAOYSA-N
MW467.52 g/mol
LogP4.56
Rot. Bonds4

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

1-[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]-4,4-dimethylpyrrolidin-2-one (PubChem CID 57449770) has the molecular formula C25H27F2N5O2 and a molecular weight of 467.52 g/mol. Its IUPAC name is 1-[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]-4,4-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]-4,4-dimethylpyrrolidin-2-one
PubChem CID57449770
Molecular FormulaC25H27F2N5O2
Molecular Weight467.52 g/mol
Exact Mass467.21
IUPAC Name1-[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]-4,4-dimethylpyrrolidin-2-one
SMILESCc1c(N2CC(C)(C)CC2=O)nc2cc(F)cc(F)c2c1Nc1cncc(N2CCOCC2)c1
InChIInChI=1S/C25H27F2N5O2/c1-15-23(29-17-10-18(13-28-12-17)31-4-6-34-7-5-31)22-19(27)8-16(26)9-20(22)30-24(15)32-14-25(2,3)11-21(32)33/h8-10,12-13H,4-7,11,14H2,1-3H3,(H,29,30)
InChIKeyJSBNHJCQQHLZBO-UHFFFAOYSA-N
XLogP4.56
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

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-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]pyrrolidin-2-one
CID 59631561
[5-[4-[[2-(4,4-dimethyl-2-oxopyrrolidin-1-yl)-5,7-difluoro-3-methylquinolin-4-yl]amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidin-2-yl]carbamic acid
CID 66632475
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
2-[6-(dimethylamino)-3-pyridinyl]-5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)quinolin-4-amine
CID 59631326
[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
5-[[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]methyl]pyrrolidine-2-carboxamide
CID 123253200
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
1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-5,5-dimethylpiperidin-2-one
CID 59631203
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
methyl 4-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)piperazine-1-carboxylate;methyl 4-[4-[(2,5-dimorpholin-4-yl-3-pyridinyl)amino]-5,7-difluoro-3-methylquinolin-2-yl]piperazine-1-carboxylate
CID 87429233

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]-4,4-dimethylpyrrolidin-2-one?
The IUPAC name of 1-[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]-4,4-dimethylpyrrolidin-2-one (CID 57449770) is 1-[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]-4,4-dimethylpyrrolidin-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]-4,4-dimethylpyrrolidin-2-one?
The canonical SMILES for 1-[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]-4,4-dimethylpyrrolidin-2-one is Cc1c(N2CC(C)(C)CC2=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]-4,4-dimethylpyrrolidin-2-one?
The InChIKey is JSBNHJCQQHLZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N5O2/c1-15-23(29-17-10-18(13-28-12-17)31-4-6-34-7-5-31)22-19(27)8-16(26)9-20(22)30-24(15)32-14-25(2,3)11-21(32)33/h8-10,12-13H,4-7,11,14H2,1-3H3,(H,29,30).
What are the key properties of 1-[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]-4,4-dimethylpyrrolidin-2-one?
1-[5,7-difluoro-3-methyl-4-[(5-morpholin-4-yl-3-pyridinyl)amino]quinolin-2-yl]-4,4-dimethylpyrrolidin-2-one has a molecular weight of 467.52 g/mol, XLogP of 4.56, 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]-4,4-dimethylpyrrolidin-2-one is sourced from PubChem (CID 57449770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).