N-(2-morpholin-4-ylethyl)-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxamide;hydrochloride

C23H22ClN3O4 — CID 71828610

IUPACN-(2-morpholin-4-ylethyl)-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxamide;hydrochloride
SMILESCl.O=C1c2ccccc2C(=O)c2c1c(C(=O)NCCN1CCOCC1)c1ccccn21
InChIInChI=1S/C23H21N3O4.ClH/c27-21-15-5-1-2-6-16(15)22(28)20-19(21)18(17-7-3-4-9-26(17)20)23(29)24-8-10-25-11-13-30-14-12-25;/h1-7,9H,8,10-14H2,(H,24,29);1H
InChIKeyNPRXZXMJUSWDKX-UHFFFAOYSA-N
MW439.90 g/mol
LogP2.20
Rot. Bonds4

About N-(2-morpholin-4-ylethyl)-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxamide;hydrochloride

N-(2-morpholin-4-ylethyl)-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxamide;hydrochloride (PubChem CID 71828610) has the molecular formula C23H22ClN3O4 and a molecular weight of 439.90 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxamide;hydrochloride
PubChem CID71828610
Molecular FormulaC23H22ClN3O4
Molecular Weight439.90 g/mol
Exact Mass439.13
IUPAC NameN-(2-morpholin-4-ylethyl)-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxamide;hydrochloride
SMILESCl.O=C1c2ccccc2C(=O)c2c1c(C(=O)NCCN1CCOCC1)c1ccccn21
InChIInChI=1S/C23H21N3O4.ClH/c27-21-15-5-1-2-6-16(15)22(28)20-19(21)18(17-7-3-4-9-26(17)20)23(29)24-8-10-25-11-13-30-14-12-25;/h1-7,9H,8,10-14H2,(H,24,29);1H
InChIKeyNPRXZXMJUSWDKX-UHFFFAOYSA-N
XLogP2.20
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.90
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2-morpholin-4-ylethyl)-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxamide;hydrochloride with MolForge

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Related Compounds

N-(3-morpholin-4-ylpropyl)-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxamide
CID 122188468
9-bromo-N-(2-morpholin-4-ylethyl)-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxamide
CID 54770717
2-methyl-N-(2-morpholin-4-ylethyl)-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide
CID 1179676
N-(4-chlorophenyl)-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxamide
CID 1090906
3-methyl-N-(2-morpholin-4-ylethyl)-4,5-dioxobenzo[g][1]benzofuran-2-carboxamide
CID 175412482
N-(3-morpholin-4-ylpropyl)-9-oxofluorene-4-carboxamide
CID 2818270
N-(2-morpholin-4-ylethyl)-2-oxo-2-phenylacetamide
CID 94274550
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 108874898
2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 4629546
2-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 799090
1-(2-morpholin-4-ylethylamino)anthracene-9,10-dione
CID 3959118
N-(2-morpholin-4-ylethyl)-4-oxo-5H-pyrrolo[1,2-a]quinoxaline-8-carboxamide
CID 24831358

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxamide;hydrochloride?
The IUPAC name of N-(2-morpholin-4-ylethyl)-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxamide;hydrochloride (CID 71828610) is N-(2-morpholin-4-ylethyl)-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxamide;hydrochloride?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxamide;hydrochloride is Cl.O=C1c2ccccc2C(=O)c2c1c(C(=O)NCCN1CCOCC1)c1ccccn21.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxamide;hydrochloride?
The InChIKey is NPRXZXMJUSWDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4.ClH/c27-21-15-5-1-2-6-16(15)22(28)20-19(21)18(17-7-3-4-9-26(17)20)23(29)24-8-10-25-11-13-30-14-12-25;/h1-7,9H,8,10-14H2,(H,24,29);1H.
What are the key properties of N-(2-morpholin-4-ylethyl)-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxamide;hydrochloride?
N-(2-morpholin-4-ylethyl)-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxamide;hydrochloride has a molecular weight of 439.90 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxamide;hydrochloride is sourced from PubChem (CID 71828610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).