N-(3-hydroxypropyl)phenanthro[9,10-b]quinoxaline-11-carboxamide

C24H19N3O2 — CID 3105372

IUPACN-(3-hydroxypropyl)phenanthro[9,10-b]quinoxaline-11-carboxamide
SMILESO=C(NCCCO)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1
InChIInChI=1S/C24H19N3O2/c28-13-5-12-25-24(29)15-10-11-20-21(14-15)27-23-19-9-4-2-7-17(19)16-6-1-3-8-18(16)22(23)26-20/h1-4,6-11,14,28H,5,12-13H2,(H,25,29)
InChIKeyYQGJBOCTJWSNCG-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.20
Rot. Bonds4

About N-(3-hydroxypropyl)phenanthro[9,10-b]quinoxaline-11-carboxamide

N-(3-hydroxypropyl)phenanthro[9,10-b]quinoxaline-11-carboxamide (PubChem CID 3105372) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-(3-hydroxypropyl)phenanthro[9,10-b]quinoxaline-11-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)phenanthro[9,10-b]quinoxaline-11-carboxamide
PubChem CID3105372
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC NameN-(3-hydroxypropyl)phenanthro[9,10-b]quinoxaline-11-carboxamide
SMILESO=C(NCCCO)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1
InChIInChI=1S/C24H19N3O2/c28-13-5-12-25-24(29)15-10-11-20-21(14-15)27-23-19-9-4-2-7-17(19)16-6-1-3-8-18(16)22(23)26-20/h1-4,6-11,14,28H,5,12-13H2,(H,25,29)
InChIKeyYQGJBOCTJWSNCG-UHFFFAOYSA-N
XLogP4.20
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6666_A(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-phenylphenanthro[9,10-b]quinoxaline-11-carboxamide
CID 3107678
phenanthro[9,10-b]quinoxalin-11-yl(phenyl)methanone
CID 3122495
N-pentyl-2,3-diphenylquinoxaline-6-carboxamide
CID 43853055
1-(3-hydroxypropyl)-3-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylurea
CID 5030725
N-[3-(dimethylamino)propyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 4062520
2,3-diphenyl-N-propylquinoxaline-6-carboxamide
CID 3107662
N-(3-hydroxypropyl)isoquinoline-6-carboxamide
CID 110485097
N-(5-hydroxypentyl)-1,3-benzoxazole-5-carboxamide
CID 108795171
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857
N-(3-hydroxypropyl)-4-[2-[4-(3-hydroxypropylcarbamoyl)phenyl]ethenyl]benzamide
CID 71357848
benzoic acid;N-(2-hydroxyethyl)benzamide
CID 68510330
N-(3-hydroxypropyl)-9H-fluorene-2-carboxamide
CID 78869667

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)phenanthro[9,10-b]quinoxaline-11-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)phenanthro[9,10-b]quinoxaline-11-carboxamide (CID 3105372) is N-(3-hydroxypropyl)phenanthro[9,10-b]quinoxaline-11-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)phenanthro[9,10-b]quinoxaline-11-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)phenanthro[9,10-b]quinoxaline-11-carboxamide is O=C(NCCCO)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1.
What is the InChIKey of N-(3-hydroxypropyl)phenanthro[9,10-b]quinoxaline-11-carboxamide?
The InChIKey is YQGJBOCTJWSNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c28-13-5-12-25-24(29)15-10-11-20-21(14-15)27-23-19-9-4-2-7-17(19)16-6-1-3-8-18(16)22(23)26-20/h1-4,6-11,14,28H,5,12-13H2,(H,25,29).
What are the key properties of N-(3-hydroxypropyl)phenanthro[9,10-b]quinoxaline-11-carboxamide?
N-(3-hydroxypropyl)phenanthro[9,10-b]quinoxaline-11-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)phenanthro[9,10-b]quinoxaline-11-carboxamide is sourced from PubChem (CID 3105372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).