(2E)-1-acetyl-2-[[6-(morpholine-4-carbonyl)-4-pyridin-4-ylquinolin-2-yl]methylidene]indol-3-one

C30H24N4O4 — CID 176732761

IUPAC(2E)-1-acetyl-2-[[6-(morpholine-4-carbonyl)-4-pyridin-4-ylquinolin-2-yl]methylidene]indol-3-one
SMILESCC(=O)N1/C(=C/c2cc(-c3ccncc3)c3cc(C(=O)N4CCOCC4)ccc3n2)C(=O)c2ccccc21
InChIInChI=1S/C30H24N4O4/c1-19(35)34-27-5-3-2-4-23(27)29(36)28(34)18-22-17-24(20-8-10-31-11-9-20)25-16-21(6-7-26(25)32-22)30(37)33-12-14-38-15-13-33/h2-11,16-18H,12-15H2,1H3/b28-18+
InChIKeyRPAOQZIHDURZAL-MTDXEUNCSA-N
MW504.55 g/mol
LogP4.36
Rot. Bonds3

About (2E)-1-acetyl-2-[[6-(morpholine-4-carbonyl)-4-pyridin-4-ylquinolin-2-yl]methylidene]indol-3-one

(2E)-1-acetyl-2-[[6-(morpholine-4-carbonyl)-4-pyridin-4-ylquinolin-2-yl]methylidene]indol-3-one (PubChem CID 176732761) has the molecular formula C30H24N4O4 and a molecular weight of 504.55 g/mol. Its IUPAC name is (2E)-1-acetyl-2-[[6-(morpholine-4-carbonyl)-4-pyridin-4-ylquinolin-2-yl]methylidene]indol-3-one.

Molecular Properties

Compound Name(2E)-1-acetyl-2-[[6-(morpholine-4-carbonyl)-4-pyridin-4-ylquinolin-2-yl]methylidene]indol-3-one
PubChem CID176732761
Molecular FormulaC30H24N4O4
Molecular Weight504.55 g/mol
Exact Mass504.18
IUPAC Name(2E)-1-acetyl-2-[[6-(morpholine-4-carbonyl)-4-pyridin-4-ylquinolin-2-yl]methylidene]indol-3-one
SMILESCC(=O)N1/C(=C/c2cc(-c3ccncc3)c3cc(C(=O)N4CCOCC4)ccc3n2)C(=O)c2ccccc21
InChIInChI=1S/C30H24N4O4/c1-19(35)34-27-5-3-2-4-23(27)29(36)28(34)18-22-17-24(20-8-10-31-11-9-20)25-16-21(6-7-26(25)32-22)30(37)33-12-14-38-15-13-33/h2-11,16-18H,12-15H2,1H3/b28-18+
InChIKeyRPAOQZIHDURZAL-MTDXEUNCSA-N
XLogP4.36
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.55
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2E)-1-acetyl-2-[[6-(morpholine-4-carbonyl)-4-pyridin-4-ylquinolin-2-yl]methylidene]indol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-1-acetyl-2-[[6-(morpholine-4-carbonyl)-4-pyridin-4-ylquinolin-2-yl]methylidene]indol-3-one?
The IUPAC name of (2E)-1-acetyl-2-[[6-(morpholine-4-carbonyl)-4-pyridin-4-ylquinolin-2-yl]methylidene]indol-3-one (CID 176732761) is (2E)-1-acetyl-2-[[6-(morpholine-4-carbonyl)-4-pyridin-4-ylquinolin-2-yl]methylidene]indol-3-one.
What is the SMILES notation for (2E)-1-acetyl-2-[[6-(morpholine-4-carbonyl)-4-pyridin-4-ylquinolin-2-yl]methylidene]indol-3-one?
The canonical SMILES for (2E)-1-acetyl-2-[[6-(morpholine-4-carbonyl)-4-pyridin-4-ylquinolin-2-yl]methylidene]indol-3-one is CC(=O)N1/C(=C/c2cc(-c3ccncc3)c3cc(C(=O)N4CCOCC4)ccc3n2)C(=O)c2ccccc21.
What is the InChIKey of (2E)-1-acetyl-2-[[6-(morpholine-4-carbonyl)-4-pyridin-4-ylquinolin-2-yl]methylidene]indol-3-one?
The InChIKey is RPAOQZIHDURZAL-MTDXEUNCSA-N. The full InChI is InChI=1S/C30H24N4O4/c1-19(35)34-27-5-3-2-4-23(27)29(36)28(34)18-22-17-24(20-8-10-31-11-9-20)25-16-21(6-7-26(25)32-22)30(37)33-12-14-38-15-13-33/h2-11,16-18H,12-15H2,1H3/b28-18+.
What are the key properties of (2E)-1-acetyl-2-[[6-(morpholine-4-carbonyl)-4-pyridin-4-ylquinolin-2-yl]methylidene]indol-3-one?
(2E)-1-acetyl-2-[[6-(morpholine-4-carbonyl)-4-pyridin-4-ylquinolin-2-yl]methylidene]indol-3-one has a molecular weight of 504.55 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-acetyl-2-[[6-(morpholine-4-carbonyl)-4-pyridin-4-ylquinolin-2-yl]methylidene]indol-3-one is sourced from PubChem (CID 176732761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).