N-(diaminomethylidene)-8-hydroxy-2-(2-methylphenyl)quinoline-4-carboxamide

C18H16N4O2 — CID 19955827

IUPACN-(diaminomethylidene)-8-hydroxy-2-(2-methylphenyl)quinoline-4-carboxamide
SMILESCc1ccccc1-c1cc(C(=O)N=C(N)N)c2cccc(O)c2n1
InChIInChI=1S/C18H16N4O2/c1-10-5-2-3-6-11(10)14-9-13(17(24)22-18(19)20)12-7-4-8-15(23)16(12)21-14/h2-9,23H,1H3,(H4,19,20,22,24)
InChIKeyTXEYOSAILCVUIQ-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.33
Rot. Bonds2

About N-(diaminomethylidene)-8-hydroxy-2-(2-methylphenyl)quinoline-4-carboxamide

N-(diaminomethylidene)-8-hydroxy-2-(2-methylphenyl)quinoline-4-carboxamide (PubChem CID 19955827) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-(diaminomethylidene)-8-hydroxy-2-(2-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-8-hydroxy-2-(2-methylphenyl)quinoline-4-carboxamide
PubChem CID19955827
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC NameN-(diaminomethylidene)-8-hydroxy-2-(2-methylphenyl)quinoline-4-carboxamide
SMILESCc1ccccc1-c1cc(C(=O)N=C(N)N)c2cccc(O)c2n1
InChIInChI=1S/C18H16N4O2/c1-10-5-2-3-6-11(10)14-9-13(17(24)22-18(19)20)12-7-4-8-15(23)16(12)21-14/h2-9,23H,1H3,(H4,19,20,22,24)
InChIKeyTXEYOSAILCVUIQ-UHFFFAOYSA-N
XLogP2.33
TPSA114.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.33
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-8-hydroxy-2-(2-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(diaminomethylidene)-8-hydroxy-2-(2-methylphenyl)quinoline-4-carboxamide (CID 19955827) is N-(diaminomethylidene)-8-hydroxy-2-(2-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-8-hydroxy-2-(2-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-8-hydroxy-2-(2-methylphenyl)quinoline-4-carboxamide is Cc1ccccc1-c1cc(C(=O)N=C(N)N)c2cccc(O)c2n1.
What is the InChIKey of N-(diaminomethylidene)-8-hydroxy-2-(2-methylphenyl)quinoline-4-carboxamide?
The InChIKey is TXEYOSAILCVUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-10-5-2-3-6-11(10)14-9-13(17(24)22-18(19)20)12-7-4-8-15(23)16(12)21-14/h2-9,23H,1H3,(H4,19,20,22,24).
What are the key properties of N-(diaminomethylidene)-8-hydroxy-2-(2-methylphenyl)quinoline-4-carboxamide?
N-(diaminomethylidene)-8-hydroxy-2-(2-methylphenyl)quinoline-4-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 2.33, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-8-hydroxy-2-(2-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 19955827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).