N-[(3,4-dihydroxyphenyl)methylideneamino]-4-(quinolin-8-ylsulfanylmethyl)benzamide

C24H19N3O3S — CID 2350508

IUPACN-[(3,4-dihydroxyphenyl)methylideneamino]-4-(quinolin-8-ylsulfanylmethyl)benzamide
SMILESO=C(NN=Cc1ccc(O)c(O)c1)c1ccc(CSc2cccc3cccnc23)cc1
InChIInChI=1S/C24H19N3O3S/c28-20-11-8-17(13-21(20)29)14-26-27-24(30)19-9-6-16(7-10-19)15-31-22-5-1-3-18-4-2-12-25-23(18)22/h1-14,28-29H,15H2,(H,27,30)
InChIKeyLPMTXYXHUWBBOH-UHFFFAOYSA-N
MW429.50 g/mol
LogP4.70
Rot. Bonds6

About N-[(3,4-dihydroxyphenyl)methylideneamino]-4-(quinolin-8-ylsulfanylmethyl)benzamide

N-[(3,4-dihydroxyphenyl)methylideneamino]-4-(quinolin-8-ylsulfanylmethyl)benzamide (PubChem CID 2350508) has the molecular formula C24H19N3O3S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[(3,4-dihydroxyphenyl)methylideneamino]-4-(quinolin-8-ylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[(3,4-dihydroxyphenyl)methylideneamino]-4-(quinolin-8-ylsulfanylmethyl)benzamide
PubChem CID2350508
Molecular FormulaC24H19N3O3S
Molecular Weight429.50 g/mol
Exact Mass429.11
IUPAC NameN-[(3,4-dihydroxyphenyl)methylideneamino]-4-(quinolin-8-ylsulfanylmethyl)benzamide
SMILESO=C(NN=Cc1ccc(O)c(O)c1)c1ccc(CSc2cccc3cccnc23)cc1
InChIInChI=1S/C24H19N3O3S/c28-20-11-8-17(13-21(20)29)14-26-27-24(30)19-9-6-16(7-10-19)15-31-22-5-1-3-18-4-2-12-25-23(18)22/h1-14,28-29H,15H2,(H,27,30)
InChIKeyLPMTXYXHUWBBOH-UHFFFAOYSA-N
XLogP4.70
TPSA94.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(4-bromophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 6882442
N-[(Z)-pyridin-4-ylmethylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 5405310
N-[(2,3-dihydroxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide
CID 2368203
N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 136911345
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-(phenylsulfanylmethyl)benzamide
CID 137172347
N-[(3,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 5065376
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 1240020
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 136863963
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 136671572
4-(phenylsulfanylmethyl)-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide
CID 5412791
N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 5435758
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 136661620

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dihydroxyphenyl)methylideneamino]-4-(quinolin-8-ylsulfanylmethyl)benzamide?
The IUPAC name of N-[(3,4-dihydroxyphenyl)methylideneamino]-4-(quinolin-8-ylsulfanylmethyl)benzamide (CID 2350508) is N-[(3,4-dihydroxyphenyl)methylideneamino]-4-(quinolin-8-ylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[(3,4-dihydroxyphenyl)methylideneamino]-4-(quinolin-8-ylsulfanylmethyl)benzamide?
The canonical SMILES for N-[(3,4-dihydroxyphenyl)methylideneamino]-4-(quinolin-8-ylsulfanylmethyl)benzamide is O=C(NN=Cc1ccc(O)c(O)c1)c1ccc(CSc2cccc3cccnc23)cc1.
What is the InChIKey of N-[(3,4-dihydroxyphenyl)methylideneamino]-4-(quinolin-8-ylsulfanylmethyl)benzamide?
The InChIKey is LPMTXYXHUWBBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3S/c28-20-11-8-17(13-21(20)29)14-26-27-24(30)19-9-6-16(7-10-19)15-31-22-5-1-3-18-4-2-12-25-23(18)22/h1-14,28-29H,15H2,(H,27,30).
What are the key properties of N-[(3,4-dihydroxyphenyl)methylideneamino]-4-(quinolin-8-ylsulfanylmethyl)benzamide?
N-[(3,4-dihydroxyphenyl)methylideneamino]-4-(quinolin-8-ylsulfanylmethyl)benzamide has a molecular weight of 429.50 g/mol, XLogP of 4.70, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dihydroxyphenyl)methylideneamino]-4-(quinolin-8-ylsulfanylmethyl)benzamide is sourced from PubChem (CID 2350508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).