6-oxo-N-(1,10-phenanthrolin-5-yl)heptanamide

C19H19N3O2 — CID 20704834

IUPAC6-oxo-N-(1,10-phenanthrolin-5-yl)heptanamide
SMILESCC(=O)CCCCC(=O)Nc1cc2cccnc2c2ncccc12
InChIInChI=1S/C19H19N3O2/c1-13(23)6-2-3-9-17(24)22-16-12-14-7-4-10-20-18(14)19-15(16)8-5-11-21-19/h4-5,7-8,10-12H,2-3,6,9H2,1H3,(H,22,24)
InChIKeyQZQBEJDNKJCWAG-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.87
Rot. Bonds6

About 6-oxo-N-(1,10-phenanthrolin-5-yl)heptanamide

6-oxo-N-(1,10-phenanthrolin-5-yl)heptanamide (PubChem CID 20704834) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 6-oxo-N-(1,10-phenanthrolin-5-yl)heptanamide.

Molecular Properties

Compound Name6-oxo-N-(1,10-phenanthrolin-5-yl)heptanamide
PubChem CID20704834
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name6-oxo-N-(1,10-phenanthrolin-5-yl)heptanamide
SMILESCC(=O)CCCCC(=O)Nc1cc2cccnc2c2ncccc12
InChIInChI=1S/C19H19N3O2/c1-13(23)6-2-3-9-17(24)22-16-12-14-7-4-10-20-18(14)19-15(16)8-5-11-21-19/h4-5,7-8,10-12H,2-3,6,9H2,1H3,(H,22,24)
InChIKeyQZQBEJDNKJCWAG-UHFFFAOYSA-N
XLogP3.87
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
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

10-oxo-10-(1,10-phenanthrolin-5-ylamino)decanoic acid
CID 68544848
methyl 10-oxo-10-(1,10-phenanthrolin-5-ylamino)decanoate
CID 68545365
ethane;5-oxo-5-(1,10-phenanthrolin-5-ylamino)pentanoic acid
CID 144761202
4-amino-N-(1,10-phenanthrolin-5-yl)butanamide;4-N-(3-aminopropyl)-7-N-methyl-1,10-phenanthroline-4,7-dicarboxamide
CID 162227256
3-ethyl-3-methyl-N-(1,10-phenanthrolin-5-yl)heptanamide
CID 144610995
4-(4,4-dimethyl-2,6-dioxocyclohexyl)-4-oxo-N-(1,10-phenanthrolin-5-yl)butanamide
CID 91324787
1-(1,10-phenanthrolin-5-yl)propan-2-one
CID 57096123
N-quinolin-8-ylundecanamide
CID 3567928
N-(6-chloroquinolin-8-yl)-5-hydroxypentanamide
CID 79199292
N-benzo[h]quinolin-4-ylpentanamide
CID 46307999
azanide;2-[bis[2-[carboxymethyl-[2-oxo-2-(1,10-phenanthrolin-5-ylamino)ethyl]amino]ethyl]amino]acetic acid;carbanide;gadolinium(3+);bis(iridium)
CID 171460074
6-[(8-chloroquinolin-5-yl)amino]-6-oxohexanoic acid
CID 60941268

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(1,10-phenanthrolin-5-yl)heptanamide?
The IUPAC name of 6-oxo-N-(1,10-phenanthrolin-5-yl)heptanamide (CID 20704834) is 6-oxo-N-(1,10-phenanthrolin-5-yl)heptanamide.
What is the SMILES notation for 6-oxo-N-(1,10-phenanthrolin-5-yl)heptanamide?
The canonical SMILES for 6-oxo-N-(1,10-phenanthrolin-5-yl)heptanamide is CC(=O)CCCCC(=O)Nc1cc2cccnc2c2ncccc12.
What is the InChIKey of 6-oxo-N-(1,10-phenanthrolin-5-yl)heptanamide?
The InChIKey is QZQBEJDNKJCWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13(23)6-2-3-9-17(24)22-16-12-14-7-4-10-20-18(14)19-15(16)8-5-11-21-19/h4-5,7-8,10-12H,2-3,6,9H2,1H3,(H,22,24).
What are the key properties of 6-oxo-N-(1,10-phenanthrolin-5-yl)heptanamide?
6-oxo-N-(1,10-phenanthrolin-5-yl)heptanamide has a molecular weight of 321.38 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(1,10-phenanthrolin-5-yl)heptanamide is sourced from PubChem (CID 20704834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).