2-pentoxyquinoline-4-carbonyl chloride

C15H16ClNO2 — CID 10423651

IUPAC2-pentoxyquinoline-4-carbonyl chloride
SMILESCCCCCOc1cc(C(=O)Cl)c2ccccc2n1
InChIInChI=1S/C15H16ClNO2/c1-2-3-6-9-19-14-10-12(15(16)18)11-7-4-5-8-13(11)17-14/h4-5,7-8,10H,2-3,6,9H2,1H3
InChIKeyJMACGGWYXPNVJN-UHFFFAOYSA-N
MW277.75 g/mol
LogP4.18
Rot. Bonds6

About 2-pentoxyquinoline-4-carbonyl chloride

2-pentoxyquinoline-4-carbonyl chloride (PubChem CID 10423651) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-pentoxyquinoline-4-carbonyl chloride.

Molecular Properties

Compound Name2-pentoxyquinoline-4-carbonyl chloride
PubChem CID10423651
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name2-pentoxyquinoline-4-carbonyl chloride
SMILESCCCCCOc1cc(C(=O)Cl)c2ccccc2n1
InChIInChI=1S/C15H16ClNO2/c1-2-3-6-9-19-14-10-12(15(16)18)11-7-4-5-8-13(11)17-14/h4-5,7-8,10H,2-3,6,9H2,1H3
InChIKeyJMACGGWYXPNVJN-UHFFFAOYSA-N
XLogP4.18
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-hexoxyquinoline-4-carboxamide
CID 156634614
2-(3-hydroxypropoxy)quinoline-4-carboxylic acid
CID 43332241
N-(2-aminoethyl)-2-butoxyquinoline-4-carboxamide;ethane
CID 143047297
N-[(2-hexoxyquinolin-4-yl)methyl]ethanamine
CID 63489674
2-[2-(dimethylamino)ethoxy]quinoline-4-carboxylic acid
CID 61104780
2-octoxyquinoline-4-carbonitrile
CID 63885669
hexyl 2-(4-octoxycarbonylquinolin-2-yl)quinoline-4-carboxylate
CID 3428854
2-propoxyquinoline-4-carboximidamide
CID 63885122
2-(2-methylpentoxy)quinoline-4-carboxylic acid
CID 103283216
4-pentoxyquinoline-3-carboxylic acid
CID 61339358
2-(2-propoxyethoxy)quinoline-4-carboximidamide
CID 63883975
2-[2-(dimethylamino)-2-methylpropoxy]quinoline-4-carboxylic acid
CID 79672347

Frequently Asked Questions

What is the IUPAC name of 2-pentoxyquinoline-4-carbonyl chloride?
The IUPAC name of 2-pentoxyquinoline-4-carbonyl chloride (CID 10423651) is 2-pentoxyquinoline-4-carbonyl chloride.
What is the SMILES notation for 2-pentoxyquinoline-4-carbonyl chloride?
The canonical SMILES for 2-pentoxyquinoline-4-carbonyl chloride is CCCCCOc1cc(C(=O)Cl)c2ccccc2n1.
What is the InChIKey of 2-pentoxyquinoline-4-carbonyl chloride?
The InChIKey is JMACGGWYXPNVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-2-3-6-9-19-14-10-12(15(16)18)11-7-4-5-8-13(11)17-14/h4-5,7-8,10H,2-3,6,9H2,1H3.
What are the key properties of 2-pentoxyquinoline-4-carbonyl chloride?
2-pentoxyquinoline-4-carbonyl chloride has a molecular weight of 277.75 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentoxyquinoline-4-carbonyl chloride is sourced from PubChem (CID 10423651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).