N-[[1-acetyl-2-[[6-(morpholine-4-carbonyl)quinolin-2-yl]methylidene]-3-oxoindol-4-yl]methyl]acetamide

C28H26N4O5 — CID 177077544

IUPACN-[[1-acetyl-2-[[6-(morpholine-4-carbonyl)quinolin-2-yl]methylidene]-3-oxoindol-4-yl]methyl]acetamide
SMILESCC(=O)NCc1cccc2c1C(=O)C(=Cc1ccc3cc(C(=O)N4CCOCC4)ccc3n1)N2C(C)=O
InChIInChI=1S/C28H26N4O5/c1-17(33)29-16-21-4-3-5-24-26(21)27(35)25(32(24)18(2)34)15-22-8-6-19-14-20(7-9-23(19)30-22)28(36)31-10-12-37-13-11-31/h3-9,14-15H,10-13,16H2,1-2H3,(H,29,33)
InChIKeyYQXYOEUNFSPZFZ-UHFFFAOYSA-N
MW498.54 g/mol
LogP2.93
Rot. Bonds4

About N-[[1-acetyl-2-[[6-(morpholine-4-carbonyl)quinolin-2-yl]methylidene]-3-oxoindol-4-yl]methyl]acetamide

N-[[1-acetyl-2-[[6-(morpholine-4-carbonyl)quinolin-2-yl]methylidene]-3-oxoindol-4-yl]methyl]acetamide (PubChem CID 177077544) has the molecular formula C28H26N4O5 and a molecular weight of 498.54 g/mol. Its IUPAC name is N-[[1-acetyl-2-[[6-(morpholine-4-carbonyl)quinolin-2-yl]methylidene]-3-oxoindol-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-acetyl-2-[[6-(morpholine-4-carbonyl)quinolin-2-yl]methylidene]-3-oxoindol-4-yl]methyl]acetamide
PubChem CID177077544
Molecular FormulaC28H26N4O5
Molecular Weight498.54 g/mol
Exact Mass498.19
IUPAC NameN-[[1-acetyl-2-[[6-(morpholine-4-carbonyl)quinolin-2-yl]methylidene]-3-oxoindol-4-yl]methyl]acetamide
SMILESCC(=O)NCc1cccc2c1C(=O)C(=Cc1ccc3cc(C(=O)N4CCOCC4)ccc3n1)N2C(C)=O
InChIInChI=1S/C28H26N4O5/c1-17(33)29-16-21-4-3-5-24-26(21)27(35)25(32(24)18(2)34)15-22-8-6-19-14-20(7-9-23(19)30-22)28(36)31-10-12-37-13-11-31/h3-9,14-15H,10-13,16H2,1-2H3,(H,29,33)
InChIKeyYQXYOEUNFSPZFZ-UHFFFAOYSA-N
XLogP2.93
TPSA108.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.54
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2E)-1-acetyl-2-[[7-(morpholine-4-carbonyl)quinolin-2-yl]methylidene]indol-3-one
CID 176732687
N-[[2-[(E)-(1-acetyl-3-oxoindol-2-ylidene)methyl]quinolin-6-yl]methyl]-2-morpholin-4-ylacetamide
CID 176732702
(2Z)-1-acetyl-2-[[6-(morpholine-4-carbonyl)-8-naphthalen-1-ylquinolin-2-yl]methylidene]indol-3-one
CID 177077624
(2E)-1-acetyl-2-[[6-(morpholine-4-carbonyl)-4-pyridin-4-ylquinolin-2-yl]methylidene]indol-3-one
CID 176732761
(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
1-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]propan-2-one
CID 135163730
(2Z)-1-acetyl-2-[[6-[4-(oxetan-3-yl)piperazine-1-carbonyl]-4-quinolin-4-ylquinolin-2-yl]methylidene]indol-3-one
CID 177077711
ethane;(6-methylnaphthalen-2-yl)-morpholin-4-ylmethanone
CID 143890558
3-(morpholine-4-carbonyl)-N-propylbenzamide
CID 109050289
2-methyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
CID 4094749
[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051623

Frequently Asked Questions

What is the IUPAC name of N-[[1-acetyl-2-[[6-(morpholine-4-carbonyl)quinolin-2-yl]methylidene]-3-oxoindol-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-acetyl-2-[[6-(morpholine-4-carbonyl)quinolin-2-yl]methylidene]-3-oxoindol-4-yl]methyl]acetamide (CID 177077544) is N-[[1-acetyl-2-[[6-(morpholine-4-carbonyl)quinolin-2-yl]methylidene]-3-oxoindol-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-acetyl-2-[[6-(morpholine-4-carbonyl)quinolin-2-yl]methylidene]-3-oxoindol-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-acetyl-2-[[6-(morpholine-4-carbonyl)quinolin-2-yl]methylidene]-3-oxoindol-4-yl]methyl]acetamide is CC(=O)NCc1cccc2c1C(=O)C(=Cc1ccc3cc(C(=O)N4CCOCC4)ccc3n1)N2C(C)=O.
What is the InChIKey of N-[[1-acetyl-2-[[6-(morpholine-4-carbonyl)quinolin-2-yl]methylidene]-3-oxoindol-4-yl]methyl]acetamide?
The InChIKey is YQXYOEUNFSPZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O5/c1-17(33)29-16-21-4-3-5-24-26(21)27(35)25(32(24)18(2)34)15-22-8-6-19-14-20(7-9-23(19)30-22)28(36)31-10-12-37-13-11-31/h3-9,14-15H,10-13,16H2,1-2H3,(H,29,33).
What are the key properties of N-[[1-acetyl-2-[[6-(morpholine-4-carbonyl)quinolin-2-yl]methylidene]-3-oxoindol-4-yl]methyl]acetamide?
N-[[1-acetyl-2-[[6-(morpholine-4-carbonyl)quinolin-2-yl]methylidene]-3-oxoindol-4-yl]methyl]acetamide has a molecular weight of 498.54 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-acetyl-2-[[6-(morpholine-4-carbonyl)quinolin-2-yl]methylidene]-3-oxoindol-4-yl]methyl]acetamide is sourced from PubChem (CID 177077544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).