N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-morpholin-4-ylacetamide;oxalic acid

C26H28N4O6 — CID 650914

IUPACN-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-morpholin-4-ylacetamide;oxalic acid
SMILESO=C(CN1CCOCC1)Nc1c2c(nc3ccccc13)N(Cc1ccccc1)CC2.O=C(O)C(=O)O
InChIInChI=1S/C24H26N4O2.C2H2O4/c29-22(17-27-12-14-30-15-13-27)26-23-19-8-4-5-9-21(19)25-24-20(23)10-11-28(24)16-18-6-2-1-3-7-18;3-1(4)2(5)6/h1-9H,10-17H2,(H,25,26,29);(H,3,4)(H,5,6)
InChIKeySDEZJLBPQPKBAR-UHFFFAOYSA-N
MW492.53 g/mol
LogP2.22
Rot. Bonds5

About N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-morpholin-4-ylacetamide;oxalic acid

N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-morpholin-4-ylacetamide;oxalic acid (PubChem CID 650914) has the molecular formula C26H28N4O6 and a molecular weight of 492.53 g/mol. Its IUPAC name is N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-morpholin-4-ylacetamide;oxalic acid.

Molecular Properties

Compound NameN-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-morpholin-4-ylacetamide;oxalic acid
PubChem CID650914
Molecular FormulaC26H28N4O6
Molecular Weight492.53 g/mol
Exact Mass492.20
IUPAC NameN-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-morpholin-4-ylacetamide;oxalic acid
SMILESO=C(CN1CCOCC1)Nc1c2c(nc3ccccc13)N(Cc1ccccc1)CC2.O=C(O)C(=O)O
InChIInChI=1S/C24H26N4O2.C2H2O4/c29-22(17-27-12-14-30-15-13-27)26-23-19-8-4-5-9-21(19)25-24-20(23)10-11-28(24)16-18-6-2-1-3-7-18;3-1(4)2(5)6/h1-9H,10-17H2,(H,25,26,29);(H,3,4)(H,5,6)
InChIKeySDEZJLBPQPKBAR-UHFFFAOYSA-N
XLogP2.22
TPSA132.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.53
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-morpholin-4-ylacetamide;oxalic acid?
The IUPAC name of N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-morpholin-4-ylacetamide;oxalic acid (CID 650914) is N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-morpholin-4-ylacetamide;oxalic acid.
What is the SMILES notation for N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-morpholin-4-ylacetamide;oxalic acid?
The canonical SMILES for N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-morpholin-4-ylacetamide;oxalic acid is O=C(CN1CCOCC1)Nc1c2c(nc3ccccc13)N(Cc1ccccc1)CC2.O=C(O)C(=O)O.
What is the InChIKey of N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-morpholin-4-ylacetamide;oxalic acid?
The InChIKey is SDEZJLBPQPKBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2.C2H2O4/c29-22(17-27-12-14-30-15-13-27)26-23-19-8-4-5-9-21(19)25-24-20(23)10-11-28(24)16-18-6-2-1-3-7-18;3-1(4)2(5)6/h1-9H,10-17H2,(H,25,26,29);(H,3,4)(H,5,6).
What are the key properties of N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-morpholin-4-ylacetamide;oxalic acid?
N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-morpholin-4-ylacetamide;oxalic acid has a molecular weight of 492.53 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-morpholin-4-ylacetamide;oxalic acid is sourced from PubChem (CID 650914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).