N-(8-oxo-6,7-dihydro-5H-3,7-phenanthrolin-9-yl)acetamide

C14H13N3O2 — CID 70080549

IUPACN-(8-oxo-6,7-dihydro-5H-3,7-phenanthrolin-9-yl)acetamide
SMILESCC(=O)Nc1cc2c([nH]c1=O)CCc1cnccc1-2
InChIInChI=1S/C14H13N3O2/c1-8(18)16-13-6-11-10-4-5-15-7-9(10)2-3-12(11)17-14(13)19/h4-7H,2-3H2,1H3,(H,16,18)(H,17,19)
InChIKeyKEFTXSOSHDHOTP-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.49
Rot. Bonds1

About N-(8-oxo-6,7-dihydro-5H-3,7-phenanthrolin-9-yl)acetamide

N-(8-oxo-6,7-dihydro-5H-3,7-phenanthrolin-9-yl)acetamide (PubChem CID 70080549) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-(8-oxo-6,7-dihydro-5H-3,7-phenanthrolin-9-yl)acetamide.

Molecular Properties

Compound NameN-(8-oxo-6,7-dihydro-5H-3,7-phenanthrolin-9-yl)acetamide
PubChem CID70080549
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC NameN-(8-oxo-6,7-dihydro-5H-3,7-phenanthrolin-9-yl)acetamide
SMILESCC(=O)Nc1cc2c([nH]c1=O)CCc1cnccc1-2
InChIInChI=1S/C14H13N3O2/c1-8(18)16-13-6-11-10-4-5-15-7-9(10)2-3-12(11)17-14(13)19/h4-7H,2-3H2,1H3,(H,16,18)(H,17,19)
InChIKeyKEFTXSOSHDHOTP-UHFFFAOYSA-N
XLogP1.49
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-dihydro-2H-2,8-phenanthrolin-3-one
CID 177137002
N-(5H-chromeno[3,4-c]pyridin-8-yl)acetamide
CID 78320119
N-(6-butyl-2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)acetamide
CID 20514941
5,6-dihydrobenzo[f]isoquinoline
CID 14566470
N-(4-amino-3-pyridinyl)acetamide
CID 11593462
N-(3-sulfanyl-4-pyridinyl)acetamide
CID 119086581
5,6-dimethyl-7,8-dihydroisoquinoline
CID 89031942
ethyl 4,5-dihydro-1H-pyrrolo[2,3-f]isoquinoline-3-carboxylate
CID 68707167
7,8-dihydro-6H-isoquinolin-5-one;methane;methyl 5-hydroxy-7,8-dihydroisoquinoline-6-carboxylate
CID 162063250
3-(4-oxopent-2-en-2-ylamino)-6-propyl-5-pyridin-4-yl-1H-pyridin-2-one
CID 70543541
7,8-dihydro-6H-isoquinolin-5-one;hydrochloride
CID 23157166
N-(6,9-dimethyl-5H-pyrido[4,3-b]indol-7-yl)acetamide
CID 10467444

Frequently Asked Questions

What is the IUPAC name of N-(8-oxo-6,7-dihydro-5H-3,7-phenanthrolin-9-yl)acetamide?
The IUPAC name of N-(8-oxo-6,7-dihydro-5H-3,7-phenanthrolin-9-yl)acetamide (CID 70080549) is N-(8-oxo-6,7-dihydro-5H-3,7-phenanthrolin-9-yl)acetamide.
What is the SMILES notation for N-(8-oxo-6,7-dihydro-5H-3,7-phenanthrolin-9-yl)acetamide?
The canonical SMILES for N-(8-oxo-6,7-dihydro-5H-3,7-phenanthrolin-9-yl)acetamide is CC(=O)Nc1cc2c([nH]c1=O)CCc1cnccc1-2.
What is the InChIKey of N-(8-oxo-6,7-dihydro-5H-3,7-phenanthrolin-9-yl)acetamide?
The InChIKey is KEFTXSOSHDHOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-8(18)16-13-6-11-10-4-5-15-7-9(10)2-3-12(11)17-14(13)19/h4-7H,2-3H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-(8-oxo-6,7-dihydro-5H-3,7-phenanthrolin-9-yl)acetamide?
N-(8-oxo-6,7-dihydro-5H-3,7-phenanthrolin-9-yl)acetamide has a molecular weight of 255.28 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-oxo-6,7-dihydro-5H-3,7-phenanthrolin-9-yl)acetamide is sourced from PubChem (CID 70080549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).