N-[[2-[(E)-(1-acetyl-3-oxoindol-2-ylidene)methyl]quinolin-6-yl]methyl]-2-morpholin-4-ylacetamide

C27H26N4O4 — CID 176732702

IUPACN-[[2-[(E)-(1-acetyl-3-oxoindol-2-ylidene)methyl]quinolin-6-yl]methyl]-2-morpholin-4-ylacetamide
SMILESCC(=O)N1/C(=C/c2ccc3cc(CNC(=O)CN4CCOCC4)ccc3n2)C(=O)c2ccccc21
InChIInChI=1S/C27H26N4O4/c1-18(32)31-24-5-3-2-4-22(24)27(34)25(31)15-21-8-7-20-14-19(6-9-23(20)29-21)16-28-26(33)17-30-10-12-35-13-11-30/h2-9,14-15H,10-13,16-17H2,1H3,(H,28,33)/b25-15+
InChIKeyZRNGUQXGOVJAFH-MFKUBSTISA-N
MW470.53 g/mol
LogP2.77
Rot. Bonds5

About N-[[2-[(E)-(1-acetyl-3-oxoindol-2-ylidene)methyl]quinolin-6-yl]methyl]-2-morpholin-4-ylacetamide

N-[[2-[(E)-(1-acetyl-3-oxoindol-2-ylidene)methyl]quinolin-6-yl]methyl]-2-morpholin-4-ylacetamide (PubChem CID 176732702) has the molecular formula C27H26N4O4 and a molecular weight of 470.53 g/mol. Its IUPAC name is N-[[2-[(E)-(1-acetyl-3-oxoindol-2-ylidene)methyl]quinolin-6-yl]methyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[[2-[(E)-(1-acetyl-3-oxoindol-2-ylidene)methyl]quinolin-6-yl]methyl]-2-morpholin-4-ylacetamide
PubChem CID176732702
Molecular FormulaC27H26N4O4
Molecular Weight470.53 g/mol
Exact Mass470.20
IUPAC NameN-[[2-[(E)-(1-acetyl-3-oxoindol-2-ylidene)methyl]quinolin-6-yl]methyl]-2-morpholin-4-ylacetamide
SMILESCC(=O)N1/C(=C/c2ccc3cc(CNC(=O)CN4CCOCC4)ccc3n2)C(=O)c2ccccc21
InChIInChI=1S/C27H26N4O4/c1-18(32)31-24-5-3-2-4-22(24)27(34)25(31)15-21-8-7-20-14-19(6-9-23(20)29-21)16-28-26(33)17-30-10-12-35-13-11-30/h2-9,14-15H,10-13,16-17H2,1H3,(H,28,33)/b25-15+
InChIKeyZRNGUQXGOVJAFH-MFKUBSTISA-N
XLogP2.77
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[[2-[(E)-(1-acetyl-3-oxoindol-2-ylidene)methyl]quinolin-6-yl]methyl]-2-morpholin-4-ylacetamide with MolForge

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Related Compounds

(2E)-1-acetyl-2-[[7-(morpholine-4-carbonyl)quinolin-2-yl]methylidene]indol-3-one
CID 176732687
N-[[1-acetyl-2-[[6-(morpholine-4-carbonyl)quinolin-2-yl]methylidene]-3-oxoindol-4-yl]methyl]acetamide
CID 177077544
N-[4-[(Z)-(1-acetyl-3-oxoindol-2-ylidene)methyl]-2-methoxyphenyl]-2-morpholin-4-ylacetamide
CID 176510393
(2Z)-1-acetyl-2-[[6-(morpholine-4-carbonyl)-4-pyrimidin-5-ylquinolin-2-yl]methylidene]indol-3-one
CID 176510435
(2E)-1-acetyl-2-[[6-(morpholine-4-carbonyl)-4-pyridazin-3-ylquinolin-2-yl]methylidene]indol-3-one
CID 176732766
(2E)-1-acetyl-2-[[6-(morpholine-4-carbonyl)-4-pyridin-4-ylquinolin-2-yl]methylidene]indol-3-one
CID 176732761
N-[[3-(2-methylpropyl)phenyl]methyl]-2-morpholin-4-ylacetamide
CID 138665807
N-[(2-chloroquinolin-3-yl)methylideneamino]-2-morpholin-4-ylacetamide
CID 761994
N-[(4-chlorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]acetamide
CID 2417400
2-(4-methylpiperidin-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 8558402
2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 37153190
N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-morpholin-4-ylacetamide
CID 75499508

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(E)-(1-acetyl-3-oxoindol-2-ylidene)methyl]quinolin-6-yl]methyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[[2-[(E)-(1-acetyl-3-oxoindol-2-ylidene)methyl]quinolin-6-yl]methyl]-2-morpholin-4-ylacetamide (CID 176732702) is N-[[2-[(E)-(1-acetyl-3-oxoindol-2-ylidene)methyl]quinolin-6-yl]methyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[[2-[(E)-(1-acetyl-3-oxoindol-2-ylidene)methyl]quinolin-6-yl]methyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[[2-[(E)-(1-acetyl-3-oxoindol-2-ylidene)methyl]quinolin-6-yl]methyl]-2-morpholin-4-ylacetamide is CC(=O)N1/C(=C/c2ccc3cc(CNC(=O)CN4CCOCC4)ccc3n2)C(=O)c2ccccc21.
What is the InChIKey of N-[[2-[(E)-(1-acetyl-3-oxoindol-2-ylidene)methyl]quinolin-6-yl]methyl]-2-morpholin-4-ylacetamide?
The InChIKey is ZRNGUQXGOVJAFH-MFKUBSTISA-N. The full InChI is InChI=1S/C27H26N4O4/c1-18(32)31-24-5-3-2-4-22(24)27(34)25(31)15-21-8-7-20-14-19(6-9-23(20)29-21)16-28-26(33)17-30-10-12-35-13-11-30/h2-9,14-15H,10-13,16-17H2,1H3,(H,28,33)/b25-15+.
What are the key properties of N-[[2-[(E)-(1-acetyl-3-oxoindol-2-ylidene)methyl]quinolin-6-yl]methyl]-2-morpholin-4-ylacetamide?
N-[[2-[(E)-(1-acetyl-3-oxoindol-2-ylidene)methyl]quinolin-6-yl]methyl]-2-morpholin-4-ylacetamide has a molecular weight of 470.53 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(E)-(1-acetyl-3-oxoindol-2-ylidene)methyl]quinolin-6-yl]methyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 176732702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).