N-hydroxyquinoline-6-carboximidoyl chloride

C10H7ClN2O — CID 123379056

IUPACN-hydroxyquinoline-6-carboximidoyl chloride
SMILESON=C(Cl)c1ccc2ncccc2c1
InChIInChI=1S/C10H7ClN2O/c11-10(13-14)8-3-4-9-7(6-8)2-1-5-12-9/h1-6,14H
InChIKeyDIMCRNMCHZWYNQ-UHFFFAOYSA-N
MW206.63 g/mol
LogP2.61
Rot. Bonds1

About N-hydroxyquinoline-6-carboximidoyl chloride

N-hydroxyquinoline-6-carboximidoyl chloride (PubChem CID 123379056) has the molecular formula C10H7ClN2O and a molecular weight of 206.63 g/mol. Its IUPAC name is N-hydroxyquinoline-6-carboximidoyl chloride.

Molecular Properties

Compound NameN-hydroxyquinoline-6-carboximidoyl chloride
PubChem CID123379056
Molecular FormulaC10H7ClN2O
Molecular Weight206.63 g/mol
Exact Mass206.02
IUPAC NameN-hydroxyquinoline-6-carboximidoyl chloride
SMILESON=C(Cl)c1ccc2ncccc2c1
InChIInChI=1S/C10H7ClN2O/c11-10(13-14)8-3-4-9-7(6-8)2-1-5-12-9/h1-6,14H
InChIKeyDIMCRNMCHZWYNQ-UHFFFAOYSA-N
XLogP2.61
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxyquinoline-6-carboximidamide
CID 59214181
(2Z)-N-hydroxynaphthalene-2-carboximidoyl chloride
CID 12014223
ethane;quinoline-6-carboxylic acid
CID 91364452
6-[(E)-1-fluoroprop-1-enyl]quinoline
CID 173227059
N-amino-N'-methylquinoline-6-carboximidamide
CID 62874070
2,2,2-trifluoro-1-quinolin-6-ylethanone
CID 66466769
pyridin-3-yl(quinolin-6-yl)methanone
CID 63097549
N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide
CID 23653724
N-(2-chloroethyl)quinoline-6-carboxamide
CID 62874874
(3-chloro-4-methylphenyl)-quinolin-6-ylmethanone
CID 115790583
(4-bromo-3-chlorophenyl)-quinolin-6-ylmethanone
CID 115790550
N-(2-amino-2-hydroxyiminoethyl)-N-ethylquinoline-6-carboxamide
CID 76951107

Frequently Asked Questions

What is the IUPAC name of N-hydroxyquinoline-6-carboximidoyl chloride?
The IUPAC name of N-hydroxyquinoline-6-carboximidoyl chloride (CID 123379056) is N-hydroxyquinoline-6-carboximidoyl chloride.
What is the SMILES notation for N-hydroxyquinoline-6-carboximidoyl chloride?
The canonical SMILES for N-hydroxyquinoline-6-carboximidoyl chloride is ON=C(Cl)c1ccc2ncccc2c1.
What is the InChIKey of N-hydroxyquinoline-6-carboximidoyl chloride?
The InChIKey is DIMCRNMCHZWYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O/c11-10(13-14)8-3-4-9-7(6-8)2-1-5-12-9/h1-6,14H.
What are the key properties of N-hydroxyquinoline-6-carboximidoyl chloride?
N-hydroxyquinoline-6-carboximidoyl chloride has a molecular weight of 206.63 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxyquinoline-6-carboximidoyl chloride is sourced from PubChem (CID 123379056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).