6-phenoxy-N'-(quinolin-8-ylmethoxy)pyridine-3-carboximidamide

C22H18N4O2 — CID 97201727

IUPAC6-phenoxy-N'-(quinolin-8-ylmethoxy)pyridine-3-carboximidamide
SMILESN/C(=N\OCc1cccc2cccnc12)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C22H18N4O2/c23-22(17-11-12-20(25-14-17)28-19-9-2-1-3-10-19)26-27-15-18-7-4-6-16-8-5-13-24-21(16)18/h1-14H,15H2,(H2,23,26)
InChIKeySFHCDOXNUNINBQ-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.26
Rot. Bonds6

About 6-phenoxy-N'-(quinolin-8-ylmethoxy)pyridine-3-carboximidamide

6-phenoxy-N'-(quinolin-8-ylmethoxy)pyridine-3-carboximidamide (PubChem CID 97201727) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 6-phenoxy-N'-(quinolin-8-ylmethoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-phenoxy-N'-(quinolin-8-ylmethoxy)pyridine-3-carboximidamide
PubChem CID97201727
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name6-phenoxy-N'-(quinolin-8-ylmethoxy)pyridine-3-carboximidamide
SMILESN/C(=N\OCc1cccc2cccnc12)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C22H18N4O2/c23-22(17-11-12-20(25-14-17)28-19-9-2-1-3-10-19)26-27-15-18-7-4-6-16-8-5-13-24-21(16)18/h1-14H,15H2,(H2,23,26)
InChIKeySFHCDOXNUNINBQ-UHFFFAOYSA-N
XLogP4.26
TPSA82.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-phenoxy-N'-phenylmethoxypyridine-3-carboximidamide
CID 52534295
N'-[(4-fluorophenyl)methoxy]-6-phenoxypyridine-3-carboximidamide
CID 60591206
N'-[3-(4-fluorophenoxy)propoxy]-6-phenoxypyridine-3-carboximidamide
CID 60591183
3-(quinolin-8-ylmethoxy)benzenecarbothioamide
CID 28775042
N-[4-[(Z)-C-methyl-N-(quinolin-8-ylmethoxy)carbonimidoyl]phenyl]acetamide
CID 30215530
2-(quinolin-8-ylmethoxy)ethanamine
CID 62343014
N'-hydroxy-2-quinolin-8-ylethanimidamide
CID 53412326
ethane;1-(6-phenoxy-3-pyridinyl)ethanone
CID 91184231
1-phenyl-2-quinolin-8-ylethanone
CID 171934139
quinolin-8-ylmethyl 3-hydroxybenzoate
CID 17392700
N'-[(3-bromo-2-chlorophenyl)methoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 155968174
N'-[(4-fluorophenyl)methoxy]-2-phenoxypyridine-3-carboximidamide
CID 76870993

Frequently Asked Questions

What is the IUPAC name of 6-phenoxy-N'-(quinolin-8-ylmethoxy)pyridine-3-carboximidamide?
The IUPAC name of 6-phenoxy-N'-(quinolin-8-ylmethoxy)pyridine-3-carboximidamide (CID 97201727) is 6-phenoxy-N'-(quinolin-8-ylmethoxy)pyridine-3-carboximidamide.
What is the SMILES notation for 6-phenoxy-N'-(quinolin-8-ylmethoxy)pyridine-3-carboximidamide?
The canonical SMILES for 6-phenoxy-N'-(quinolin-8-ylmethoxy)pyridine-3-carboximidamide is N/C(=N\OCc1cccc2cccnc12)c1ccc(Oc2ccccc2)nc1.
What is the InChIKey of 6-phenoxy-N'-(quinolin-8-ylmethoxy)pyridine-3-carboximidamide?
The InChIKey is SFHCDOXNUNINBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c23-22(17-11-12-20(25-14-17)28-19-9-2-1-3-10-19)26-27-15-18-7-4-6-16-8-5-13-24-21(16)18/h1-14H,15H2,(H2,23,26).
What are the key properties of 6-phenoxy-N'-(quinolin-8-ylmethoxy)pyridine-3-carboximidamide?
6-phenoxy-N'-(quinolin-8-ylmethoxy)pyridine-3-carboximidamide has a molecular weight of 370.41 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenoxy-N'-(quinolin-8-ylmethoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 97201727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).