(4Z)-N-hydroxyquinoline-4-carboximidoyl chloride

C10H7ClN2O — CID 137004396

IUPAC(4Z)-N-hydroxyquinoline-4-carboximidoyl chloride
SMILESO/N=C(\Cl)c1ccnc2ccccc12
InChIInChI=1S/C10H7ClN2O/c11-10(13-14)8-5-6-12-9-4-2-1-3-7(8)9/h1-6,14H/b13-10-
InChIKeyMOYFSOTWEQVHJV-RAXLEYEMSA-N
MW206.63 g/mol
LogP2.61
Rot. Bonds1

About (4Z)-N-hydroxyquinoline-4-carboximidoyl chloride

(4Z)-N-hydroxyquinoline-4-carboximidoyl chloride (PubChem CID 137004396) has the molecular formula C10H7ClN2O and a molecular weight of 206.63 g/mol. Its IUPAC name is (4Z)-N-hydroxyquinoline-4-carboximidoyl chloride.

Molecular Properties

Compound Name(4Z)-N-hydroxyquinoline-4-carboximidoyl chloride
PubChem CID137004396
Molecular FormulaC10H7ClN2O
Molecular Weight206.63 g/mol
Exact Mass206.02
IUPAC Name(4Z)-N-hydroxyquinoline-4-carboximidoyl chloride
SMILESO/N=C(\Cl)c1ccnc2ccccc12
InChIInChI=1S/C10H7ClN2O/c11-10(13-14)8-5-6-12-9-4-2-1-3-7(8)9/h1-6,14H/b13-10-
InChIKeyMOYFSOTWEQVHJV-RAXLEYEMSA-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

(4-iodophenyl)-quinolin-4-ylmethanone
CID 86811146
2,2-dimethyl-1-quinolin-4-ylpropan-1-one
CID 12913278
quinoline-4-carbonyl cyanide
CID 119091066
2-quinolin-4-ylprop-2-enenitrile
CID 143863214
2-bromo-1-quinolin-4-ylethanone;hydrobromide
CID 86652931
2-hydroxy-1-quinolin-4-ylpropan-1-one
CID 175106314
1-quinolin-4-ylbut-3-yn-1-one
CID 105076388
(3,4-difluorophenyl)-quinolin-4-ylmethanone
CID 86811172
1,2-oxazolidin-2-yl(quinolin-4-yl)methanone
CID 113375772
(2,5-difluorophenyl)-quinolin-4-ylmethanone
CID 86811170
4-chloroquinoline;ethane
CID 91461667
trichloro(quinolin-4-yl)silane
CID 119089813

Frequently Asked Questions

What is the IUPAC name of (4Z)-N-hydroxyquinoline-4-carboximidoyl chloride?
The IUPAC name of (4Z)-N-hydroxyquinoline-4-carboximidoyl chloride (CID 137004396) is (4Z)-N-hydroxyquinoline-4-carboximidoyl chloride.
What is the SMILES notation for (4Z)-N-hydroxyquinoline-4-carboximidoyl chloride?
The canonical SMILES for (4Z)-N-hydroxyquinoline-4-carboximidoyl chloride is O/N=C(\Cl)c1ccnc2ccccc12.
What is the InChIKey of (4Z)-N-hydroxyquinoline-4-carboximidoyl chloride?
The InChIKey is MOYFSOTWEQVHJV-RAXLEYEMSA-N. The full InChI is InChI=1S/C10H7ClN2O/c11-10(13-14)8-5-6-12-9-4-2-1-3-7(8)9/h1-6,14H/b13-10-.
What are the key properties of (4Z)-N-hydroxyquinoline-4-carboximidoyl chloride?
(4Z)-N-hydroxyquinoline-4-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 (4Z)-N-hydroxyquinoline-4-carboximidoyl chloride is sourced from PubChem (CID 137004396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).