N-[3-[[7-fluoro-3-methyl-2-(2-oxopyrrolidin-1-yl)quinolin-4-yl]amino]-5-morpholin-4-ylphenyl]acetamide

C26H28FN5O3 — CID 59631301

IUPACN-[3-[[7-fluoro-3-methyl-2-(2-oxopyrrolidin-1-yl)quinolin-4-yl]amino]-5-morpholin-4-ylphenyl]acetamide
SMILESCC(=O)Nc1cc(Nc2c(C)c(N3CCCC3=O)nc3cc(F)ccc23)cc(N2CCOCC2)c1
InChIInChI=1S/C26H28FN5O3/c1-16-25(22-6-5-18(27)12-23(22)30-26(16)32-7-3-4-24(32)34)29-20-13-19(28-17(2)33)14-21(15-20)31-8-10-35-11-9-31/h5-6,12-15H,3-4,7-11H2,1-2H3,(H,28,33)(H,29,30)
InChIKeyUOGMVOJYCZOWMY-UHFFFAOYSA-N
MW477.54 g/mol
LogP4.35
Rot. Bonds5

About N-[3-[[7-fluoro-3-methyl-2-(2-oxopyrrolidin-1-yl)quinolin-4-yl]amino]-5-morpholin-4-ylphenyl]acetamide

N-[3-[[7-fluoro-3-methyl-2-(2-oxopyrrolidin-1-yl)quinolin-4-yl]amino]-5-morpholin-4-ylphenyl]acetamide (PubChem CID 59631301) has the molecular formula C26H28FN5O3 and a molecular weight of 477.54 g/mol. Its IUPAC name is N-[3-[[7-fluoro-3-methyl-2-(2-oxopyrrolidin-1-yl)quinolin-4-yl]amino]-5-morpholin-4-ylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[7-fluoro-3-methyl-2-(2-oxopyrrolidin-1-yl)quinolin-4-yl]amino]-5-morpholin-4-ylphenyl]acetamide
PubChem CID59631301
Molecular FormulaC26H28FN5O3
Molecular Weight477.54 g/mol
Exact Mass477.22
IUPAC NameN-[3-[[7-fluoro-3-methyl-2-(2-oxopyrrolidin-1-yl)quinolin-4-yl]amino]-5-morpholin-4-ylphenyl]acetamide
SMILESCC(=O)Nc1cc(Nc2c(C)c(N3CCCC3=O)nc3cc(F)ccc23)cc(N2CCOCC2)c1
InChIInChI=1S/C26H28FN5O3/c1-16-25(22-6-5-18(27)12-23(22)30-26(16)32-7-3-4-24(32)34)29-20-13-19(28-17(2)33)14-21(15-20)31-8-10-35-11-9-31/h5-6,12-15H,3-4,7-11H2,1-2H3,(H,28,33)(H,29,30)
InChIKeyUOGMVOJYCZOWMY-UHFFFAOYSA-N
XLogP4.35
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 54.35
H-Bond Donors ≤ 52
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]pyrrolidin-2-one
CID 59631561
N-cyclopropyl-3-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-5-morpholin-4-ylbenzamide
CID 67507904
N-[3-[(dimethylamino)methyl]-5-morpholin-4-ylphenyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 59631388
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
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]-4,4-dimethylpyrrolidin-2-one
CID 57449770
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
3-acetamido-5-(2-oxopyrrolidin-1-yl)benzoic acid
CID 22253004
1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 102501069
6-fluoro-2-methyl-N-(4-morpholin-4-ylphenyl)quinoline-4-carboxamide
CID 108802559
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-2-(2-fluoro-5-nitrophenyl)-3-methylquinolin-4-amine
CID 59631298

Frequently Asked Questions

What is the IUPAC name of N-[3-[[7-fluoro-3-methyl-2-(2-oxopyrrolidin-1-yl)quinolin-4-yl]amino]-5-morpholin-4-ylphenyl]acetamide?
The IUPAC name of N-[3-[[7-fluoro-3-methyl-2-(2-oxopyrrolidin-1-yl)quinolin-4-yl]amino]-5-morpholin-4-ylphenyl]acetamide (CID 59631301) is N-[3-[[7-fluoro-3-methyl-2-(2-oxopyrrolidin-1-yl)quinolin-4-yl]amino]-5-morpholin-4-ylphenyl]acetamide.
What is the SMILES notation for N-[3-[[7-fluoro-3-methyl-2-(2-oxopyrrolidin-1-yl)quinolin-4-yl]amino]-5-morpholin-4-ylphenyl]acetamide?
The canonical SMILES for N-[3-[[7-fluoro-3-methyl-2-(2-oxopyrrolidin-1-yl)quinolin-4-yl]amino]-5-morpholin-4-ylphenyl]acetamide is CC(=O)Nc1cc(Nc2c(C)c(N3CCCC3=O)nc3cc(F)ccc23)cc(N2CCOCC2)c1.
What is the InChIKey of N-[3-[[7-fluoro-3-methyl-2-(2-oxopyrrolidin-1-yl)quinolin-4-yl]amino]-5-morpholin-4-ylphenyl]acetamide?
The InChIKey is UOGMVOJYCZOWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O3/c1-16-25(22-6-5-18(27)12-23(22)30-26(16)32-7-3-4-24(32)34)29-20-13-19(28-17(2)33)14-21(15-20)31-8-10-35-11-9-31/h5-6,12-15H,3-4,7-11H2,1-2H3,(H,28,33)(H,29,30).
What are the key properties of N-[3-[[7-fluoro-3-methyl-2-(2-oxopyrrolidin-1-yl)quinolin-4-yl]amino]-5-morpholin-4-ylphenyl]acetamide?
N-[3-[[7-fluoro-3-methyl-2-(2-oxopyrrolidin-1-yl)quinolin-4-yl]amino]-5-morpholin-4-ylphenyl]acetamide has a molecular weight of 477.54 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[7-fluoro-3-methyl-2-(2-oxopyrrolidin-1-yl)quinolin-4-yl]amino]-5-morpholin-4-ylphenyl]acetamide is sourced from PubChem (CID 59631301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).