N-(4-morpholin-4-ylphenyl)-5-nitro-1H-indole-2-carboxamide

C19H18N4O4 — CID 127051385

IUPACN-(4-morpholin-4-ylphenyl)-5-nitro-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1cc2cc([N+](=O)[O-])ccc2[nH]1
InChIInChI=1S/C19H18N4O4/c24-19(18-12-13-11-16(23(25)26)5-6-17(13)21-18)20-14-1-3-15(4-2-14)22-7-9-27-10-8-22/h1-6,11-12,21H,7-10H2,(H,20,24)
InChIKeyOBNBBFRHACNRLO-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.16
Rot. Bonds4

About N-(4-morpholin-4-ylphenyl)-5-nitro-1H-indole-2-carboxamide

N-(4-morpholin-4-ylphenyl)-5-nitro-1H-indole-2-carboxamide (PubChem CID 127051385) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-5-nitro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-5-nitro-1H-indole-2-carboxamide
PubChem CID127051385
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC NameN-(4-morpholin-4-ylphenyl)-5-nitro-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1cc2cc([N+](=O)[O-])ccc2[nH]1
InChIInChI=1S/C19H18N4O4/c24-19(18-12-13-11-16(23(25)26)5-6-17(13)21-18)20-14-1-3-15(4-2-14)22-7-9-27-10-8-22/h1-6,11-12,21H,7-10H2,(H,20,24)
InChIKeyOBNBBFRHACNRLO-UHFFFAOYSA-N
XLogP3.16
TPSA100.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-5-nitro-1H-indole-2-carboxamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-5-nitro-1H-indole-2-carboxamide (CID 127051385) is N-(4-morpholin-4-ylphenyl)-5-nitro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-5-nitro-1H-indole-2-carboxamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-5-nitro-1H-indole-2-carboxamide is O=C(Nc1ccc(N2CCOCC2)cc1)c1cc2cc([N+](=O)[O-])ccc2[nH]1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-5-nitro-1H-indole-2-carboxamide?
The InChIKey is OBNBBFRHACNRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c24-19(18-12-13-11-16(23(25)26)5-6-17(13)21-18)20-14-1-3-15(4-2-14)22-7-9-27-10-8-22/h1-6,11-12,21H,7-10H2,(H,20,24).
What are the key properties of N-(4-morpholin-4-ylphenyl)-5-nitro-1H-indole-2-carboxamide?
N-(4-morpholin-4-ylphenyl)-5-nitro-1H-indole-2-carboxamide has a molecular weight of 366.38 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-5-nitro-1H-indole-2-carboxamide is sourced from PubChem (CID 127051385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).