6-[2-(2-hydroxypropylamino)ethylamino]-5-nitro-1,3-dihydroindol-2-one

C13H18N4O4 — CID 104594187

IUPAC6-[2-(2-hydroxypropylamino)ethylamino]-5-nitro-1,3-dihydroindol-2-one
SMILESCC(O)CNCCNc1cc2c(cc1[N+](=O)[O-])CC(=O)N2
InChIInChI=1S/C13H18N4O4/c1-8(18)7-14-2-3-15-11-6-10-9(5-13(19)16-10)4-12(11)17(20)21/h4,6,8,14-15,18H,2-3,5,7H2,1H3,(H,16,19)
InChIKeyRWGOOMVDOGQNQH-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.47
Rot. Bonds7

About 6-[2-(2-hydroxypropylamino)ethylamino]-5-nitro-1,3-dihydroindol-2-one

6-[2-(2-hydroxypropylamino)ethylamino]-5-nitro-1,3-dihydroindol-2-one (PubChem CID 104594187) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 6-[2-(2-hydroxypropylamino)ethylamino]-5-nitro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[2-(2-hydroxypropylamino)ethylamino]-5-nitro-1,3-dihydroindol-2-one
PubChem CID104594187
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name6-[2-(2-hydroxypropylamino)ethylamino]-5-nitro-1,3-dihydroindol-2-one
SMILESCC(O)CNCCNc1cc2c(cc1[N+](=O)[O-])CC(=O)N2
InChIInChI=1S/C13H18N4O4/c1-8(18)7-14-2-3-15-11-6-10-9(5-13(19)16-10)4-12(11)17(20)21/h4,6,8,14-15,18H,2-3,5,7H2,1H3,(H,16,19)
InChIKeyRWGOOMVDOGQNQH-UHFFFAOYSA-N
XLogP0.47
TPSA116.53 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]ethyl]acetamide
CID 43552851
6-[(2-amino-2-methylpropyl)amino]-5-nitro-1,3-dihydroindol-2-one
CID 115303793
5-nitro-6-(prop-2-ynylamino)-1,3-dihydroindol-2-one
CID 62141089
1-[2-(4,5-dimethoxy-2-nitroanilino)ethylamino]propan-2-ol
CID 104594213
2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]ethyl carbamate
CID 83204859
6-(3-hydroxybutylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
CID 64910637
6-[3-(2-hydroxyethoxy)propylamino]-5-nitro-1,3-dihydroindol-2-one
CID 106306976
6-[(1-methylcyclopentyl)methylamino]-5-nitro-1,3-dihydroindol-2-one
CID 63831578
7-(3-methylbutylamino)-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 115585332
N-ethyl-2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]propanamide
CID 61480339
6-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-5-nitro-1,3-dihydroindol-2-one
CID 107866131
6-[(2-methylcyclopentyl)methylamino]-5-nitro-1,3-dihydroindol-2-one
CID 107419063

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-hydroxypropylamino)ethylamino]-5-nitro-1,3-dihydroindol-2-one?
The IUPAC name of 6-[2-(2-hydroxypropylamino)ethylamino]-5-nitro-1,3-dihydroindol-2-one (CID 104594187) is 6-[2-(2-hydroxypropylamino)ethylamino]-5-nitro-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[2-(2-hydroxypropylamino)ethylamino]-5-nitro-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[2-(2-hydroxypropylamino)ethylamino]-5-nitro-1,3-dihydroindol-2-one is CC(O)CNCCNc1cc2c(cc1[N+](=O)[O-])CC(=O)N2.
What is the InChIKey of 6-[2-(2-hydroxypropylamino)ethylamino]-5-nitro-1,3-dihydroindol-2-one?
The InChIKey is RWGOOMVDOGQNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-8(18)7-14-2-3-15-11-6-10-9(5-13(19)16-10)4-12(11)17(20)21/h4,6,8,14-15,18H,2-3,5,7H2,1H3,(H,16,19).
What are the key properties of 6-[2-(2-hydroxypropylamino)ethylamino]-5-nitro-1,3-dihydroindol-2-one?
6-[2-(2-hydroxypropylamino)ethylamino]-5-nitro-1,3-dihydroindol-2-one has a molecular weight of 294.31 g/mol, XLogP of 0.47, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-hydroxypropylamino)ethylamino]-5-nitro-1,3-dihydroindol-2-one is sourced from PubChem (CID 104594187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).