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

C21H23N3O3 — CID 67424998

IUPACN-(3-morpholin-4-ylpropyl)-6-oxo-5H-phenanthridine-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1ccc2c(c1)[nH]c(=O)c1ccccc12
InChIInChI=1S/C21H23N3O3/c25-20(22-8-3-9-24-10-12-27-13-11-24)15-6-7-17-16-4-1-2-5-18(16)21(26)23-19(17)14-15/h1-2,4-7,14H,3,8-13H2,(H,22,25)(H,23,26)
InChIKeyGLGVWOFFSZVCOD-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.13
Rot. Bonds5

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

N-(3-morpholin-4-ylpropyl)-6-oxo-5H-phenanthridine-3-carboxamide (PubChem CID 67424998) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-6-oxo-5H-phenanthridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-6-oxo-5H-phenanthridine-3-carboxamide
PubChem CID67424998
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-(3-morpholin-4-ylpropyl)-6-oxo-5H-phenanthridine-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1ccc2c(c1)[nH]c(=O)c1ccccc12
InChIInChI=1S/C21H23N3O3/c25-20(22-8-3-9-24-10-12-27-13-11-24)15-6-7-17-16-4-1-2-5-18(16)21(26)23-19(17)14-15/h1-2,4-7,14H,3,8-13H2,(H,22,25)(H,23,26)
InChIKeyGLGVWOFFSZVCOD-UHFFFAOYSA-N
XLogP2.13
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-morpholin-4-ylethyl)-6-oxo-5H-phenanthridine-3-carboxamide
CID 10132635
N-(2-morpholin-4-ylethyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474561
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
3-bromo-N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1H-pyridin-3-yl)-1H-indole-5-carboxamide
CID 59508042
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
N-(2-morpholin-4-ylethyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
CID 22109781
4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
methyl 3-(3-morpholin-4-ylpropylcarbamoyl)benzoate
CID 108786662
3-[2-(cyclohexen-1-yl)ethyl]-N-(3-morpholin-4-ylpropyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 4133085
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714
(Z)-but-2-enedioic acid;N-(3-morpholin-4-ylpropyl)-4-oxo-1H-quinoline-2-carboxamide
CID 51057245

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-6-oxo-5H-phenanthridine-3-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-6-oxo-5H-phenanthridine-3-carboxamide (CID 67424998) is N-(3-morpholin-4-ylpropyl)-6-oxo-5H-phenanthridine-3-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-6-oxo-5H-phenanthridine-3-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-6-oxo-5H-phenanthridine-3-carboxamide is O=C(NCCCN1CCOCC1)c1ccc2c(c1)[nH]c(=O)c1ccccc12.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-6-oxo-5H-phenanthridine-3-carboxamide?
The InChIKey is GLGVWOFFSZVCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c25-20(22-8-3-9-24-10-12-27-13-11-24)15-6-7-17-16-4-1-2-5-18(16)21(26)23-19(17)14-15/h1-2,4-7,14H,3,8-13H2,(H,22,25)(H,23,26).
What are the key properties of N-(3-morpholin-4-ylpropyl)-6-oxo-5H-phenanthridine-3-carboxamide?
N-(3-morpholin-4-ylpropyl)-6-oxo-5H-phenanthridine-3-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-6-oxo-5H-phenanthridine-3-carboxamide is sourced from PubChem (CID 67424998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).