6-hydroxy-4-oxo-1H-quinoline-7-carbaldehyde;methanamine;4-methylpiperidine

C17H25N3O3 — CID 145257789

IUPAC6-hydroxy-4-oxo-1H-quinoline-7-carbaldehyde;methanamine;4-methylpiperidine
SMILESCC1CCNCC1.CN.O=Cc1cc2[nH]ccc(=O)c2cc1O
InChIInChI=1S/C10H7NO3.C6H13N.CH5N/c12-5-6-3-8-7(4-10(6)14)9(13)1-2-11-8;1-6-2-4-7-5-3-6;1-2/h1-5,14H,(H,11,13);6-7H,2-5H2,1H3;2H2,1H3
InChIKeyVJCCFYCFBRWPHV-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.63
Rot. Bonds1

About 6-hydroxy-4-oxo-1H-quinoline-7-carbaldehyde;methanamine;4-methylpiperidine

6-hydroxy-4-oxo-1H-quinoline-7-carbaldehyde;methanamine;4-methylpiperidine (PubChem CID 145257789) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 6-hydroxy-4-oxo-1H-quinoline-7-carbaldehyde;methanamine;4-methylpiperidine.

Molecular Properties

Compound Name6-hydroxy-4-oxo-1H-quinoline-7-carbaldehyde;methanamine;4-methylpiperidine
PubChem CID145257789
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name6-hydroxy-4-oxo-1H-quinoline-7-carbaldehyde;methanamine;4-methylpiperidine
SMILESCC1CCNCC1.CN.O=Cc1cc2[nH]ccc(=O)c2cc1O
InChIInChI=1S/C10H7NO3.C6H13N.CH5N/c12-5-6-3-8-7(4-10(6)14)9(13)1-2-11-8;1-6-2-4-7-5-3-6;1-2/h1-5,14H,(H,11,13);6-7H,2-5H2,1H3;2H2,1H3
InChIKeyVJCCFYCFBRWPHV-UHFFFAOYSA-N
XLogP1.63
TPSA108.21 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Hydroxyanthraquinoneaminopropyl methyl morpholinium methosulfate
CID 16205112
6-hydroxy-2-[4-(4-methyl-benzyl)-piperidine-1-carbonyl]-1H-quinolin-4-one
CID 11538083
Serisol Brilliant Blue R
CID 80761
9,10-Anthracenedione, 4,5-bis(methylamino)-1,8-dihydroxy-
CID 91903
2-(3-hydroxyphenyl)-3-methyl-6-piperidin-1-yl-1H-quinolin-4-one
CID 56670186
9,10-Anthracenedione, 1-hydroxy-4-((2-((2-hydroxyethyl)amino)ethyl)amino)-
CID 72747
9,10-Anthracenedione, 1-((2-(dimethylamino)ethyl)amino)-4-hydroxy-
CID 153102
9,10-Anthracenedione, 1-amino-4,8-dihydroxy-5-((1-methylethyl)amino)-
CID 112237
1-(4-Aminobutylamino)-4-hydroxyanthracene-9,10-dione;2,2,2-trifluoroacetic acid
CID 145991388
1-((3-(Dimethylamino)propyl)amino)-4-hydroxyanthraquinone
CID 72739
1-(2-Aminoethylamino)-4-hydroxyanthracene-9,10-dione
CID 14811448
1-[(2-Ethylhexyl)amino]-4-hydroxyanthraquinone
CID 16205941

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-oxo-1H-quinoline-7-carbaldehyde;methanamine;4-methylpiperidine?
The IUPAC name of 6-hydroxy-4-oxo-1H-quinoline-7-carbaldehyde;methanamine;4-methylpiperidine (CID 145257789) is 6-hydroxy-4-oxo-1H-quinoline-7-carbaldehyde;methanamine;4-methylpiperidine.
What is the SMILES notation for 6-hydroxy-4-oxo-1H-quinoline-7-carbaldehyde;methanamine;4-methylpiperidine?
The canonical SMILES for 6-hydroxy-4-oxo-1H-quinoline-7-carbaldehyde;methanamine;4-methylpiperidine is CC1CCNCC1.CN.O=Cc1cc2[nH]ccc(=O)c2cc1O.
What is the InChIKey of 6-hydroxy-4-oxo-1H-quinoline-7-carbaldehyde;methanamine;4-methylpiperidine?
The InChIKey is VJCCFYCFBRWPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3.C6H13N.CH5N/c12-5-6-3-8-7(4-10(6)14)9(13)1-2-11-8;1-6-2-4-7-5-3-6;1-2/h1-5,14H,(H,11,13);6-7H,2-5H2,1H3;2H2,1H3.
What are the key properties of 6-hydroxy-4-oxo-1H-quinoline-7-carbaldehyde;methanamine;4-methylpiperidine?
6-hydroxy-4-oxo-1H-quinoline-7-carbaldehyde;methanamine;4-methylpiperidine has a molecular weight of 319.41 g/mol, XLogP of 1.63, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-oxo-1H-quinoline-7-carbaldehyde;methanamine;4-methylpiperidine is sourced from PubChem (CID 145257789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).