4-[hydroxy-(quinolin-8-ylamino)methyl]cyclohexan-1-one

C16H18N2O2 — CID 123554296

IUPAC4-[hydroxy-(quinolin-8-ylamino)methyl]cyclohexan-1-one
SMILESO=C1CCC(C(O)Nc2cccc3cccnc23)CC1
InChIInChI=1S/C16H18N2O2/c19-13-8-6-12(7-9-13)16(20)18-14-5-1-3-11-4-2-10-17-15(11)14/h1-5,10,12,16,18,20H,6-9H2
InChIKeyLUQHIEYQWOZAQF-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.72
Rot. Bonds3

About 4-[hydroxy-(quinolin-8-ylamino)methyl]cyclohexan-1-one

4-[hydroxy-(quinolin-8-ylamino)methyl]cyclohexan-1-one (PubChem CID 123554296) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-[hydroxy-(quinolin-8-ylamino)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[hydroxy-(quinolin-8-ylamino)methyl]cyclohexan-1-one
PubChem CID123554296
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-[hydroxy-(quinolin-8-ylamino)methyl]cyclohexan-1-one
SMILESO=C1CCC(C(O)Nc2cccc3cccnc23)CC1
InChIInChI=1S/C16H18N2O2/c19-13-8-6-12(7-9-13)16(20)18-14-5-1-3-11-4-2-10-17-15(11)14/h1-5,10,12,16,18,20H,6-9H2
InChIKeyLUQHIEYQWOZAQF-UHFFFAOYSA-N
XLogP2.72
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(1-cyclopropylethyl)quinolin-8-amine
CID 43191657
N-(1-cyclopentylethyl)quinolin-8-amine
CID 62631531
N-quinolin-8-ylhydroxylamine
CID 22011433
N-[1-(oxolan-3-yl)ethyl]quinolin-8-amine
CID 115916542
2-[hydroxy-(quinolin-8-ylamino)methyl]benzoic acid
CID 123155034
N-quinolin-8-ylcyclohexanecarboxamide
CID 835933
1-N-cyclopentyl-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
CID 109044532
2-N,3-N-di(quinolin-8-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 135023876
3-(quinoline-8-carbonyl)cyclopentan-1-one
CID 79638933
N-quinolin-8-yloxane-2-carboxamide
CID 110863491
N-(4-methylpentan-2-yl)quinolin-8-amine
CID 43097667
1-N-cyclopropyl-4-N-quinolin-8-ylcyclohexane-1,4-dicarboxamide
CID 109144816

Frequently Asked Questions

What is the IUPAC name of 4-[hydroxy-(quinolin-8-ylamino)methyl]cyclohexan-1-one?
The IUPAC name of 4-[hydroxy-(quinolin-8-ylamino)methyl]cyclohexan-1-one (CID 123554296) is 4-[hydroxy-(quinolin-8-ylamino)methyl]cyclohexan-1-one.
What is the SMILES notation for 4-[hydroxy-(quinolin-8-ylamino)methyl]cyclohexan-1-one?
The canonical SMILES for 4-[hydroxy-(quinolin-8-ylamino)methyl]cyclohexan-1-one is O=C1CCC(C(O)Nc2cccc3cccnc23)CC1.
What is the InChIKey of 4-[hydroxy-(quinolin-8-ylamino)methyl]cyclohexan-1-one?
The InChIKey is LUQHIEYQWOZAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-13-8-6-12(7-9-13)16(20)18-14-5-1-3-11-4-2-10-17-15(11)14/h1-5,10,12,16,18,20H,6-9H2.
What are the key properties of 4-[hydroxy-(quinolin-8-ylamino)methyl]cyclohexan-1-one?
4-[hydroxy-(quinolin-8-ylamino)methyl]cyclohexan-1-one has a molecular weight of 270.33 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydroxy-(quinolin-8-ylamino)methyl]cyclohexan-1-one is sourced from PubChem (CID 123554296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).