5-chloro-2-quinolin-3-yloxybenzenecarboximidamide

C16H12ClN3O — CID 107387242

IUPAC5-chloro-2-quinolin-3-yloxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1Oc1cnc2ccccc2c1
InChIInChI=1S/C16H12ClN3O/c17-11-5-6-15(13(8-11)16(18)19)21-12-7-10-3-1-2-4-14(10)20-9-12/h1-9H,(H3,18,19)
InChIKeyPFSZEFYWLJUMFF-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.96
Rot. Bonds3

About 5-chloro-2-quinolin-3-yloxybenzenecarboximidamide

5-chloro-2-quinolin-3-yloxybenzenecarboximidamide (PubChem CID 107387242) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is 5-chloro-2-quinolin-3-yloxybenzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-2-quinolin-3-yloxybenzenecarboximidamide
PubChem CID107387242
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC Name5-chloro-2-quinolin-3-yloxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1Oc1cnc2ccccc2c1
InChIInChI=1S/C16H12ClN3O/c17-11-5-6-15(13(8-11)16(18)19)21-12-7-10-3-1-2-4-14(10)20-9-12/h1-9H,(H3,18,19)
InChIKeyPFSZEFYWLJUMFF-UHFFFAOYSA-N
XLogP3.96
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-quinolin-3-yloxyaniline
CID 107386897
3-methyl-2-quinolin-3-yloxybenzenecarboximidamide
CID 107387226
3-[4-chloro-2-(chloromethyl)phenoxy]quinoline
CID 107387584
5-chloro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzenecarboximidamide
CID 63525016
(1R)-1-(3-chloro-4-quinolin-3-yloxyphenyl)ethanamine
CID 107387284
2-chloro-6-quinolin-3-yloxybenzenecarbothioamide
CID 107387145
5-chloro-2-(1-phenylethoxy)benzenecarboximidamide
CID 62494768
2-(3-chlorophenoxy)-5-methylbenzenecarboximidamide
CID 107930685
5-bromo-2-(3-chlorophenoxy)benzenecarboximidamide
CID 114893186
5-chloro-2-(3-methyl-4-propan-2-ylphenoxy)benzenecarboximidamide
CID 63523635
5-chloro-2-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 62494922
(1S)-1-(3-fluoro-4-quinolin-3-yloxyphenyl)ethanol
CID 107387503

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-quinolin-3-yloxybenzenecarboximidamide?
The IUPAC name of 5-chloro-2-quinolin-3-yloxybenzenecarboximidamide (CID 107387242) is 5-chloro-2-quinolin-3-yloxybenzenecarboximidamide.
What is the SMILES notation for 5-chloro-2-quinolin-3-yloxybenzenecarboximidamide?
The canonical SMILES for 5-chloro-2-quinolin-3-yloxybenzenecarboximidamide is [H]/N=C(\N)c1cc(Cl)ccc1Oc1cnc2ccccc2c1.
What is the InChIKey of 5-chloro-2-quinolin-3-yloxybenzenecarboximidamide?
The InChIKey is PFSZEFYWLJUMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c17-11-5-6-15(13(8-11)16(18)19)21-12-7-10-3-1-2-4-14(10)20-9-12/h1-9H,(H3,18,19).
What are the key properties of 5-chloro-2-quinolin-3-yloxybenzenecarboximidamide?
5-chloro-2-quinolin-3-yloxybenzenecarboximidamide has a molecular weight of 297.75 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-quinolin-3-yloxybenzenecarboximidamide is sourced from PubChem (CID 107387242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).