1H-1,8-naphthyridin-4-one

C8H6N2O — CID 589681

IUPAC1H-1,8-naphthyridin-4-one
SMILESO=c1cc[nH]c2ncccc12
InChIInChI=1S/C8H6N2O/c11-7-3-5-10-8-6(7)2-1-4-9-8/h1-5H,(H,9,10,11)
InChIKeyNQUIRWXTTAMWIU-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.92
Rot. Bonds

About 1H-1,8-naphthyridin-4-one

1H-1,8-naphthyridin-4-one (PubChem CID 589681) has the molecular formula C8H6N2O and a molecular weight of 146.15 g/mol. Its IUPAC name is 1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name1H-1,8-naphthyridin-4-one
PubChem CID589681
Molecular FormulaC8H6N2O
Molecular Weight146.15 g/mol
Exact Mass146.05
IUPAC Name1H-1,8-naphthyridin-4-one
SMILESO=c1cc[nH]c2ncccc12
InChIInChI=1S/C8H6N2O/c11-7-3-5-10-8-6(7)2-1-4-9-8/h1-5H,(H,9,10,11)
InChIKeyNQUIRWXTTAMWIU-UHFFFAOYSA-N
XLogP0.92
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Acetylpyridine
CID 9589
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N-Benzoyl-N'-(2-pyridinyl)thiourea
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3-Dimethylamino-1-(3-pyridyl)-2-propen-1-one
CID 5369165
2-Aminopyridine-3-carboxamide
CID 506623
7-Dimethylamino-2-phenyl-[1,8]naphthyridin-4-ol
CID 10378184
Dipyridodiazepinone deriv. 35
CID 463555
6-amino-N-(3,3-diphenylpropyl)nicotinamide
CID 11976309
1,2-Diphenyl-2-(pyridin-2-ylamino)ethanone
CID 31559
N-(pyridin-2-ylcarbamoyl)benzamide
CID 2985532

Frequently Asked Questions

What is the IUPAC name of 1H-1,8-naphthyridin-4-one?
The IUPAC name of 1H-1,8-naphthyridin-4-one (CID 589681) is 1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 1H-1,8-naphthyridin-4-one?
The canonical SMILES for 1H-1,8-naphthyridin-4-one is O=c1cc[nH]c2ncccc12.
What is the InChIKey of 1H-1,8-naphthyridin-4-one?
The InChIKey is NQUIRWXTTAMWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O/c11-7-3-5-10-8-6(7)2-1-4-9-8/h1-5H,(H,9,10,11).
What are the key properties of 1H-1,8-naphthyridin-4-one?
1H-1,8-naphthyridin-4-one has a molecular weight of 146.15 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 589681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).