N-(2-morpholin-4-ylethyl)-6-oxo-5H-phenanthridine-3-carboxamide

C20H21N3O3 — CID 10132635

IUPACN-(2-morpholin-4-ylethyl)-6-oxo-5H-phenanthridine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc2c(c1)[nH]c(=O)c1ccccc12
InChIInChI=1S/C20H21N3O3/c24-19(21-7-8-23-9-11-26-12-10-23)14-5-6-16-15-3-1-2-4-17(15)20(25)22-18(16)13-14/h1-6,13H,7-12H2,(H,21,24)(H,22,25)
InChIKeySJGOAOFGNIBAOF-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.74
Rot. Bonds4

About N-(2-morpholin-4-ylethyl)-6-oxo-5H-phenanthridine-3-carboxamide

N-(2-morpholin-4-ylethyl)-6-oxo-5H-phenanthridine-3-carboxamide (PubChem CID 10132635) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-6-oxo-5H-phenanthridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-6-oxo-5H-phenanthridine-3-carboxamide
PubChem CID10132635
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-(2-morpholin-4-ylethyl)-6-oxo-5H-phenanthridine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc2c(c1)[nH]c(=O)c1ccccc12
InChIInChI=1S/C20H21N3O3/c24-19(21-7-8-23-9-11-26-12-10-23)14-5-6-16-15-3-1-2-4-17(15)20(25)22-18(16)13-14/h1-6,13H,7-12H2,(H,21,24)(H,22,25)
InChIKeySJGOAOFGNIBAOF-UHFFFAOYSA-N
XLogP1.74
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(3-morpholin-4-ylpropyl)-6-oxo-5H-phenanthridine-3-carboxamide
CID 67424998
N-(2-morpholin-4-ylethyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474561
N-(2-morpholin-4-ylethyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
CID 22109781
N-(2-morpholin-4-ylethyl)-4-oxo-5H-pyrrolo[1,2-a]quinoxaline-8-carboxamide
CID 24831358
6-(2-morpholin-4-ylethylcarbamoyl)-1H-indole-2-carboxylic acid
CID 19608777
N-(2-morpholin-4-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 24641089
N-(2-morpholin-4-ylethyl)-4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide
CID 3380109
3-[(2-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 3242678
2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazole-5-carboxamide
CID 110765508
3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
3-bromo-N-(2-morpholin-4-ylethyl)benzamide
CID 669309
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-6-oxo-5H-phenanthridine-3-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-6-oxo-5H-phenanthridine-3-carboxamide (CID 10132635) is N-(2-morpholin-4-ylethyl)-6-oxo-5H-phenanthridine-3-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-6-oxo-5H-phenanthridine-3-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-6-oxo-5H-phenanthridine-3-carboxamide is O=C(NCCN1CCOCC1)c1ccc2c(c1)[nH]c(=O)c1ccccc12.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-6-oxo-5H-phenanthridine-3-carboxamide?
The InChIKey is SJGOAOFGNIBAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c24-19(21-7-8-23-9-11-26-12-10-23)14-5-6-16-15-3-1-2-4-17(15)20(25)22-18(16)13-14/h1-6,13H,7-12H2,(H,21,24)(H,22,25).
What are the key properties of N-(2-morpholin-4-ylethyl)-6-oxo-5H-phenanthridine-3-carboxamide?
N-(2-morpholin-4-ylethyl)-6-oxo-5H-phenanthridine-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-6-oxo-5H-phenanthridine-3-carboxamide is sourced from PubChem (CID 10132635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).