N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(3-morpholin-4-ylpropyl)oxamide

C20H28N4O4 — CID 7586310

IUPACN'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(3-morpholin-4-ylpropyl)oxamide
SMILESCC(=O)N1CCCc2ccc(NC(=O)C(=O)NCCCN3CCOCC3)cc21
InChIInChI=1S/C20H28N4O4/c1-15(25)24-9-2-4-16-5-6-17(14-18(16)24)22-20(27)19(26)21-7-3-8-23-10-12-28-13-11-23/h5-6,14H,2-4,7-13H2,1H3,(H,21,26)(H,22,27)
InChIKeyANEZEBGZXJZJKD-UHFFFAOYSA-N
MW388.47 g/mol
LogP0.76
Rot. Bonds5

About N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(3-morpholin-4-ylpropyl)oxamide

N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(3-morpholin-4-ylpropyl)oxamide (PubChem CID 7586310) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(3-morpholin-4-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(3-morpholin-4-ylpropyl)oxamide
PubChem CID7586310
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC NameN'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(3-morpholin-4-ylpropyl)oxamide
SMILESCC(=O)N1CCCc2ccc(NC(=O)C(=O)NCCCN3CCOCC3)cc21
InChIInChI=1S/C20H28N4O4/c1-15(25)24-9-2-4-16-5-6-17(14-18(16)24)22-20(27)19(26)21-7-3-8-23-10-12-28-13-11-23/h5-6,14H,2-4,7-13H2,1H3,(H,21,26)(H,22,27)
InChIKeyANEZEBGZXJZJKD-UHFFFAOYSA-N
XLogP0.76
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(3-morpholin-4-ylpropyl)oxamide?
The IUPAC name of N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(3-morpholin-4-ylpropyl)oxamide (CID 7586310) is N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(3-morpholin-4-ylpropyl)oxamide.
What is the SMILES notation for N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(3-morpholin-4-ylpropyl)oxamide?
The canonical SMILES for N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(3-morpholin-4-ylpropyl)oxamide is CC(=O)N1CCCc2ccc(NC(=O)C(=O)NCCCN3CCOCC3)cc21.
What is the InChIKey of N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(3-morpholin-4-ylpropyl)oxamide?
The InChIKey is ANEZEBGZXJZJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-15(25)24-9-2-4-16-5-6-17(14-18(16)24)22-20(27)19(26)21-7-3-8-23-10-12-28-13-11-23/h5-6,14H,2-4,7-13H2,1H3,(H,21,26)(H,22,27).
What are the key properties of N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(3-morpholin-4-ylpropyl)oxamide?
N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(3-morpholin-4-ylpropyl)oxamide has a molecular weight of 388.47 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(3-morpholin-4-ylpropyl)oxamide is sourced from PubChem (CID 7586310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).