2-oxo-1H-quinoline-6-carboximidoyl chloride

C10H7ClN2O — CID 118270507

IUPAC2-oxo-1H-quinoline-6-carboximidoyl chloride
SMILES[H]/N=C(\Cl)c1ccc2[nH]c(=O)ccc2c1
InChIInChI=1S/C10H7ClN2O/c11-10(12)7-1-3-8-6(5-7)2-4-9(14)13-8/h1-5,12H,(H,13,14)/b12-10-
InChIKeyLWMVEPQBABCSCF-BENRWUELSA-N
MW206.63 g/mol
LogP2.09
Rot. Bonds1

About 2-oxo-1H-quinoline-6-carboximidoyl chloride

2-oxo-1H-quinoline-6-carboximidoyl chloride (PubChem CID 118270507) has the molecular formula C10H7ClN2O and a molecular weight of 206.63 g/mol. Its IUPAC name is 2-oxo-1H-quinoline-6-carboximidoyl chloride.

Molecular Properties

Compound Name2-oxo-1H-quinoline-6-carboximidoyl chloride
PubChem CID118270507
Molecular FormulaC10H7ClN2O
Molecular Weight206.63 g/mol
Exact Mass206.02
IUPAC Name2-oxo-1H-quinoline-6-carboximidoyl chloride
SMILES[H]/N=C(\Cl)c1ccc2[nH]c(=O)ccc2c1
InChIInChI=1S/C10H7ClN2O/c11-10(12)7-1-3-8-6(5-7)2-4-9(14)13-8/h1-5,12H,(H,13,14)/b12-10-
InChIKeyLWMVEPQBABCSCF-BENRWUELSA-N
XLogP2.09
TPSA56.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-[1-(4-hydroxycyclohexyl)piperidine-3-carboximidoyl]-1H-quinolin-2-one
CID 177314010
6-(4-chlorophenyl)-1H-quinolin-2-one
CID 67364248
2-oxo-1H-quinoline-6-carbaldehyde
CID 11816137
CID 172719311
CID 172719311
neodymium;1H-quinolin-2-one
CID 175424246
6-chloro-1H-1,7-naphthyridin-2-one
CID 15592373
6-(2-pyridin-3-ylacetyl)-1H-quinolin-2-one
CID 19854669
hydrazine;1H-quinolin-2-one
CID 157180038
isocyanic acid;1H-quinolin-2-one
CID 176531100
2-[methyl-(2-oxo-1H-quinolin-6-yl)amino]acetic acid
CID 117099443
6-[2-(4-methoxyphenyl)-2-oxoethoxy]-1H-quinolin-2-one
CID 121005750
6-[(E)-but-2-enyl]-1H-quinolin-2-one
CID 119094880

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1H-quinoline-6-carboximidoyl chloride?
The IUPAC name of 2-oxo-1H-quinoline-6-carboximidoyl chloride (CID 118270507) is 2-oxo-1H-quinoline-6-carboximidoyl chloride.
What is the SMILES notation for 2-oxo-1H-quinoline-6-carboximidoyl chloride?
The canonical SMILES for 2-oxo-1H-quinoline-6-carboximidoyl chloride is [H]/N=C(\Cl)c1ccc2[nH]c(=O)ccc2c1.
What is the InChIKey of 2-oxo-1H-quinoline-6-carboximidoyl chloride?
The InChIKey is LWMVEPQBABCSCF-BENRWUELSA-N. The full InChI is InChI=1S/C10H7ClN2O/c11-10(12)7-1-3-8-6(5-7)2-4-9(14)13-8/h1-5,12H,(H,13,14)/b12-10-.
What are the key properties of 2-oxo-1H-quinoline-6-carboximidoyl chloride?
2-oxo-1H-quinoline-6-carboximidoyl chloride has a molecular weight of 206.63 g/mol, XLogP of 2.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1H-quinoline-6-carboximidoyl chloride is sourced from PubChem (CID 118270507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).