[8-(cyclohexanecarbonylamino)quinolin-5-yl] acetate

C18H20N2O3 — CID 132937573

IUPAC[8-(cyclohexanecarbonylamino)quinolin-5-yl] acetate
SMILESCC(=O)Oc1ccc(NC(=O)C2CCCCC2)c2ncccc12
InChIInChI=1S/C18H20N2O3/c1-12(21)23-16-10-9-15(17-14(16)8-5-11-19-17)20-18(22)13-6-3-2-4-7-13/h5,8-11,13H,2-4,6-7H2,1H3,(H,20,22)
InChIKeyKSEAPYUCPCWYCN-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.68
Rot. Bonds3

About [8-(cyclohexanecarbonylamino)quinolin-5-yl] acetate

[8-(cyclohexanecarbonylamino)quinolin-5-yl] acetate (PubChem CID 132937573) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is [8-(cyclohexanecarbonylamino)quinolin-5-yl] acetate.

Molecular Properties

Compound Name[8-(cyclohexanecarbonylamino)quinolin-5-yl] acetate
PubChem CID132937573
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name[8-(cyclohexanecarbonylamino)quinolin-5-yl] acetate
SMILESCC(=O)Oc1ccc(NC(=O)C2CCCCC2)c2ncccc12
InChIInChI=1S/C18H20N2O3/c1-12(21)23-16-10-9-15(17-14(16)8-5-11-19-17)20-18(22)13-6-3-2-4-7-13/h5,8-11,13H,2-4,6-7H2,1H3,(H,20,22)
InChIKeyKSEAPYUCPCWYCN-UHFFFAOYSA-N
XLogP3.68
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-quinolin-8-ylcyclohexanecarboxamide
CID 835933
[8-[(4-methoxybenzoyl)amino]quinolin-5-yl] acetate
CID 132937566
N-quinolin-5-ylcyclohexanecarboxamide
CID 8873343
N-(6-methoxyquinolin-8-yl)cyclohexanecarboxamide
CID 684971
N-(2-ethoxy-3-pyridinyl)cyclohexanecarboxamide
CID 34958678
N-[5-(4-chlorophenyl)selanyl-6-methoxyquinolin-8-yl]cyclopentanecarboxamide
CID 132548350
N-(8-aminoquinolin-5-yl)cyclopropanecarboxamide
CID 104826399
3-(cyclooctanecarbonylamino)pyridine-2-carboxylic acid
CID 104740375
N-(2,4-dimethoxy-3-methylphenyl)cyclopentanecarboxamide
CID 110777847
N-(5-bromoquinolin-8-yl)-1-methylsulfonylpiperidine-3-carboxamide
CID 17023445
(8-benzamidoquinolin-5-yl) propanoate
CID 132937572
(2R)-N-(5-bromoquinolin-8-yl)oxolane-2-carboxamide
CID 35287150

Frequently Asked Questions

What is the IUPAC name of [8-(cyclohexanecarbonylamino)quinolin-5-yl] acetate?
The IUPAC name of [8-(cyclohexanecarbonylamino)quinolin-5-yl] acetate (CID 132937573) is [8-(cyclohexanecarbonylamino)quinolin-5-yl] acetate.
What is the SMILES notation for [8-(cyclohexanecarbonylamino)quinolin-5-yl] acetate?
The canonical SMILES for [8-(cyclohexanecarbonylamino)quinolin-5-yl] acetate is CC(=O)Oc1ccc(NC(=O)C2CCCCC2)c2ncccc12.
What is the InChIKey of [8-(cyclohexanecarbonylamino)quinolin-5-yl] acetate?
The InChIKey is KSEAPYUCPCWYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12(21)23-16-10-9-15(17-14(16)8-5-11-19-17)20-18(22)13-6-3-2-4-7-13/h5,8-11,13H,2-4,6-7H2,1H3,(H,20,22).
What are the key properties of [8-(cyclohexanecarbonylamino)quinolin-5-yl] acetate?
[8-(cyclohexanecarbonylamino)quinolin-5-yl] acetate has a molecular weight of 312.37 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(cyclohexanecarbonylamino)quinolin-5-yl] acetate is sourced from PubChem (CID 132937573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).