(4-oxo-1H-quinolin-6-yl)azanium

C9H9N2O+ — CID 135689638

IUPAC(4-oxo-1H-quinolin-6-yl)azanium
SMILES[NH3+]c1ccc2[nH]ccc(=O)c2c1
InChIInChI=1S/C9H8N2O/c10-6-1-2-8-7(5-6)9(12)3-4-11-8/h1-5H,10H2,(H,11,12)/p+1
InChIKeyQDPTYTIUPLHNKB-UHFFFAOYSA-O
MW161.18 g/mol
LogP0.40
Rot. Bonds

About (4-oxo-1H-quinolin-6-yl)azanium

(4-oxo-1H-quinolin-6-yl)azanium (PubChem CID 135689638) has the molecular formula C9H9N2O+ and a molecular weight of 161.18 g/mol. Its IUPAC name is (4-oxo-1H-quinolin-6-yl)azanium.

Molecular Properties

Compound Name(4-oxo-1H-quinolin-6-yl)azanium
PubChem CID135689638
Molecular FormulaC9H9N2O+
Molecular Weight161.18 g/mol
Exact Mass161.07
IUPAC Name(4-oxo-1H-quinolin-6-yl)azanium
SMILES[NH3+]c1ccc2[nH]ccc(=O)c2c1
InChIInChI=1S/C9H8N2O/c10-6-1-2-8-7(5-6)9(12)3-4-11-8/h1-5H,10H2,(H,11,12)/p+1
InChIKeyQDPTYTIUPLHNKB-UHFFFAOYSA-O
XLogP0.40
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1,9-dihydropyrido[3,2-g]quinoline-4,6-dione
CID 58898447
6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-quinolin-4-one
CID 174912605
6,7-dihydroxy-1H-quinolin-4-one
CID 19831784
6-(diethylamino)-1H-quinolin-4-one
CID 63180418
6-(trifluoromethylsulfanyl)-1H-quinolin-4-one
CID 86037213
benzene;1H-quinolin-4-one
CID 175272043
6-(3-sulfanylprop-1-enyl)-1H-quinolin-4-one
CID 169455919
6-propylsulfanyl-1H-quinolin-4-one
CID 67468428
6-methoxy-1H-quinolin-4-one isocyanate
CID 19004901
7-chloro-6-methyl-1H-quinolin-4-one
CID 53418924
6-[3-(methylamino)prop-1-enyl]-1H-quinolin-4-one
CID 169474322
7-chloro-4-oxo-1H-quinoline-6-carbonitrile
CID 53418906

Frequently Asked Questions

What is the IUPAC name of (4-oxo-1H-quinolin-6-yl)azanium?
The IUPAC name of (4-oxo-1H-quinolin-6-yl)azanium (CID 135689638) is (4-oxo-1H-quinolin-6-yl)azanium.
What is the SMILES notation for (4-oxo-1H-quinolin-6-yl)azanium?
The canonical SMILES for (4-oxo-1H-quinolin-6-yl)azanium is [NH3+]c1ccc2[nH]ccc(=O)c2c1.
What is the InChIKey of (4-oxo-1H-quinolin-6-yl)azanium?
The InChIKey is QDPTYTIUPLHNKB-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H8N2O/c10-6-1-2-8-7(5-6)9(12)3-4-11-8/h1-5H,10H2,(H,11,12)/p+1.
What are the key properties of (4-oxo-1H-quinolin-6-yl)azanium?
(4-oxo-1H-quinolin-6-yl)azanium has a molecular weight of 161.18 g/mol, XLogP of 0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-1H-quinolin-6-yl)azanium is sourced from PubChem (CID 135689638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).