N-(3-morpholin-4-ylpropyl)-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxamide

C23H22N4O4 — CID 122188468

IUPACN-(3-morpholin-4-ylpropyl)-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxamide
SMILESO=C1c2cccnc2C(=O)c2c1c(C(=O)NCCCN1CCOCC1)c1ccccn21
InChIInChI=1S/C23H22N4O4/c28-21-15-5-3-7-24-19(15)22(29)20-18(21)17(16-6-1-2-10-27(16)20)23(30)25-8-4-9-26-11-13-31-14-12-26/h1-3,5-7,10H,4,8-9,11-14H2,(H,25,30)
InChIKeyNUWCCXCRLCHTKR-UHFFFAOYSA-N
MW418.45 g/mol
LogP1.56
Rot. Bonds5

About N-(3-morpholin-4-ylpropyl)-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxamide

N-(3-morpholin-4-ylpropyl)-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxamide (PubChem CID 122188468) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxamide
PubChem CID122188468
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC NameN-(3-morpholin-4-ylpropyl)-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxamide
SMILESO=C1c2cccnc2C(=O)c2c1c(C(=O)NCCCN1CCOCC1)c1ccccn21
InChIInChI=1S/C23H22N4O4/c28-21-15-5-3-7-24-19(15)22(29)20-18(21)17(16-6-1-2-10-27(16)20)23(30)25-8-4-9-26-11-13-31-14-12-26/h1-3,5-7,10H,4,8-9,11-14H2,(H,25,30)
InChIKeyNUWCCXCRLCHTKR-UHFFFAOYSA-N
XLogP1.56
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxamide (CID 122188468) is N-(3-morpholin-4-ylpropyl)-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxamide is O=C1c2cccnc2C(=O)c2c1c(C(=O)NCCCN1CCOCC1)c1ccccn21.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxamide?
The InChIKey is NUWCCXCRLCHTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c28-21-15-5-3-7-24-19(15)22(29)20-18(21)17(16-6-1-2-10-27(16)20)23(30)25-8-4-9-26-11-13-31-14-12-26/h1-3,5-7,10H,4,8-9,11-14H2,(H,25,30).
What are the key properties of N-(3-morpholin-4-ylpropyl)-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxamide?
N-(3-morpholin-4-ylpropyl)-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxamide has a molecular weight of 418.45 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxamide is sourced from PubChem (CID 122188468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).