10-oxo-10-(1,10-phenanthrolin-5-ylamino)decanoic acid

C22H25N3O3 — CID 68544848

IUPAC10-oxo-10-(1,10-phenanthrolin-5-ylamino)decanoic acid
SMILESO=C(O)CCCCCCCCC(=O)Nc1cc2cccnc2c2ncccc12
InChIInChI=1S/C22H25N3O3/c26-19(11-5-3-1-2-4-6-12-20(27)28)25-18-15-16-9-7-13-23-21(16)22-17(18)10-8-14-24-22/h7-10,13-15H,1-6,11-12H2,(H,25,26)(H,27,28)
InChIKeyBNQOOSRSKCCVGM-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.93
Rot. Bonds10

About 10-oxo-10-(1,10-phenanthrolin-5-ylamino)decanoic acid

10-oxo-10-(1,10-phenanthrolin-5-ylamino)decanoic acid (PubChem CID 68544848) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 10-oxo-10-(1,10-phenanthrolin-5-ylamino)decanoic acid.

Molecular Properties

Compound Name10-oxo-10-(1,10-phenanthrolin-5-ylamino)decanoic acid
PubChem CID68544848
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name10-oxo-10-(1,10-phenanthrolin-5-ylamino)decanoic acid
SMILESO=C(O)CCCCCCCCC(=O)Nc1cc2cccnc2c2ncccc12
InChIInChI=1S/C22H25N3O3/c26-19(11-5-3-1-2-4-6-12-20(27)28)25-18-15-16-9-7-13-23-21(16)22-17(18)10-8-14-24-22/h7-10,13-15H,1-6,11-12H2,(H,25,26)(H,27,28)
InChIKeyBNQOOSRSKCCVGM-UHFFFAOYSA-N
XLogP4.93
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.93
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

ethane;5-oxo-5-(1,10-phenanthrolin-5-ylamino)pentanoic acid
CID 144761202
6-oxo-N-(1,10-phenanthrolin-5-yl)heptanamide
CID 20704834
methyl 10-oxo-10-(1,10-phenanthrolin-5-ylamino)decanoate
CID 68545365
6-[(8-chloroquinolin-5-yl)amino]-6-oxohexanoic acid
CID 60941268
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
4-amino-N-(1,10-phenanthrolin-5-yl)butanamide;4-N-(3-aminopropyl)-7-N-methyl-1,10-phenanthroline-4,7-dicarboxamide
CID 162227256
4-(4,4-dimethyl-2,6-dioxocyclohexyl)-4-oxo-N-(1,10-phenanthrolin-5-yl)butanamide
CID 91324787
3-ethyl-3-methyl-N-(1,10-phenanthrolin-5-yl)heptanamide
CID 144610995
N-quinolin-8-ylundecanamide
CID 3567928
N-(6-chloroquinolin-8-yl)-5-hydroxypentanamide
CID 79199292
5-[[2-[6-[3-(4-carboxybutanoylamino)-2-pyridinyl]-1,2,4,5-tetrazin-3-yl]-3-pyridinyl]amino]-5-oxopentanoic acid
CID 155426767
N-(8-hydroxyquinolin-7-yl)nonanamide
CID 102278514

Frequently Asked Questions

What is the IUPAC name of 10-oxo-10-(1,10-phenanthrolin-5-ylamino)decanoic acid?
The IUPAC name of 10-oxo-10-(1,10-phenanthrolin-5-ylamino)decanoic acid (CID 68544848) is 10-oxo-10-(1,10-phenanthrolin-5-ylamino)decanoic acid.
What is the SMILES notation for 10-oxo-10-(1,10-phenanthrolin-5-ylamino)decanoic acid?
The canonical SMILES for 10-oxo-10-(1,10-phenanthrolin-5-ylamino)decanoic acid is O=C(O)CCCCCCCCC(=O)Nc1cc2cccnc2c2ncccc12.
What is the InChIKey of 10-oxo-10-(1,10-phenanthrolin-5-ylamino)decanoic acid?
The InChIKey is BNQOOSRSKCCVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c26-19(11-5-3-1-2-4-6-12-20(27)28)25-18-15-16-9-7-13-23-21(16)22-17(18)10-8-14-24-22/h7-10,13-15H,1-6,11-12H2,(H,25,26)(H,27,28).
What are the key properties of 10-oxo-10-(1,10-phenanthrolin-5-ylamino)decanoic acid?
10-oxo-10-(1,10-phenanthrolin-5-ylamino)decanoic acid has a molecular weight of 379.46 g/mol, XLogP of 4.93, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxo-10-(1,10-phenanthrolin-5-ylamino)decanoic acid is sourced from PubChem (CID 68544848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).