N'-amino-4-[[3-(quinolin-2-ylmethoxy)anilino]methyl]benzenecarboximidamide

C24H23N5O — CID 142223560

IUPACN'-amino-4-[[3-(quinolin-2-ylmethoxy)anilino]methyl]benzenecarboximidamide
SMILESN/N=C(\N)c1ccc(CNc2cccc(OCc3ccc4ccccc4n3)c2)cc1
InChIInChI=1S/C24H23N5O/c25-24(29-26)19-10-8-17(9-11-19)15-27-20-5-3-6-22(14-20)30-16-21-13-12-18-4-1-2-7-23(18)28-21/h1-14,27H,15-16,26H2,(H2,25,29)
InChIKeyKVSDZBAVTMDTKG-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.00
Rot. Bonds7

About N'-amino-4-[[3-(quinolin-2-ylmethoxy)anilino]methyl]benzenecarboximidamide

N'-amino-4-[[3-(quinolin-2-ylmethoxy)anilino]methyl]benzenecarboximidamide (PubChem CID 142223560) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is N'-amino-4-[[3-(quinolin-2-ylmethoxy)anilino]methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-amino-4-[[3-(quinolin-2-ylmethoxy)anilino]methyl]benzenecarboximidamide
PubChem CID142223560
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC NameN'-amino-4-[[3-(quinolin-2-ylmethoxy)anilino]methyl]benzenecarboximidamide
SMILESN/N=C(\N)c1ccc(CNc2cccc(OCc3ccc4ccccc4n3)c2)cc1
InChIInChI=1S/C24H23N5O/c25-24(29-26)19-10-8-17(9-11-19)15-27-20-5-3-6-22(14-20)30-16-21-13-12-18-4-1-2-7-23(18)28-21/h1-14,27H,15-16,26H2,(H2,25,29)
InChIKeyKVSDZBAVTMDTKG-UHFFFAOYSA-N
XLogP4.00
TPSA98.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of N'-amino-4-[[3-(quinolin-2-ylmethoxy)anilino]methyl]benzenecarboximidamide?
The IUPAC name of N'-amino-4-[[3-(quinolin-2-ylmethoxy)anilino]methyl]benzenecarboximidamide (CID 142223560) is N'-amino-4-[[3-(quinolin-2-ylmethoxy)anilino]methyl]benzenecarboximidamide.
What is the SMILES notation for N'-amino-4-[[3-(quinolin-2-ylmethoxy)anilino]methyl]benzenecarboximidamide?
The canonical SMILES for N'-amino-4-[[3-(quinolin-2-ylmethoxy)anilino]methyl]benzenecarboximidamide is N/N=C(\N)c1ccc(CNc2cccc(OCc3ccc4ccccc4n3)c2)cc1.
What is the InChIKey of N'-amino-4-[[3-(quinolin-2-ylmethoxy)anilino]methyl]benzenecarboximidamide?
The InChIKey is KVSDZBAVTMDTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c25-24(29-26)19-10-8-17(9-11-19)15-27-20-5-3-6-22(14-20)30-16-21-13-12-18-4-1-2-7-23(18)28-21/h1-14,27H,15-16,26H2,(H2,25,29).
What are the key properties of N'-amino-4-[[3-(quinolin-2-ylmethoxy)anilino]methyl]benzenecarboximidamide?
N'-amino-4-[[3-(quinolin-2-ylmethoxy)anilino]methyl]benzenecarboximidamide has a molecular weight of 397.48 g/mol, XLogP of 4.00, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-4-[[3-(quinolin-2-ylmethoxy)anilino]methyl]benzenecarboximidamide is sourced from PubChem (CID 142223560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).