N-[(E)-(4-hydroxyphenyl)methylideneamino]-2,8-dimethylquinoline-3-carboxamide

C19H17N3O2 — CID 135401476

IUPACN-[(E)-(4-hydroxyphenyl)methylideneamino]-2,8-dimethylquinoline-3-carboxamide
SMILESCc1nc2c(C)cccc2cc1C(=O)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C19H17N3O2/c1-12-4-3-5-15-10-17(13(2)21-18(12)15)19(24)22-20-11-14-6-8-16(23)9-7-14/h3-11,23H,1-2H3,(H,22,24)/b20-11+
InChIKeyZFJWCRNCGGHRKC-RGVLZGJSSA-N
MW319.36 g/mol
LogP3.32
Rot. Bonds3

About N-[(E)-(4-hydroxyphenyl)methylideneamino]-2,8-dimethylquinoline-3-carboxamide

N-[(E)-(4-hydroxyphenyl)methylideneamino]-2,8-dimethylquinoline-3-carboxamide (PubChem CID 135401476) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[(E)-(4-hydroxyphenyl)methylideneamino]-2,8-dimethylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-2,8-dimethylquinoline-3-carboxamide
PubChem CID135401476
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-2,8-dimethylquinoline-3-carboxamide
SMILESCc1nc2c(C)cccc2cc1C(=O)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C19H17N3O2/c1-12-4-3-5-15-10-17(13(2)21-18(12)15)19(24)22-20-11-14-6-8-16(23)9-7-14/h3-11,23H,1-2H3,(H,22,24)/b20-11+
InChIKeyZFJWCRNCGGHRKC-RGVLZGJSSA-N
XLogP3.32
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-[(E)-(4-hydroxyphenyl)methylideneamino]-2,8-dimethylquinoline-3-carboxamide?
The IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-2,8-dimethylquinoline-3-carboxamide (CID 135401476) is N-[(E)-(4-hydroxyphenyl)methylideneamino]-2,8-dimethylquinoline-3-carboxamide.
What is the SMILES notation for N-[(E)-(4-hydroxyphenyl)methylideneamino]-2,8-dimethylquinoline-3-carboxamide?
The canonical SMILES for N-[(E)-(4-hydroxyphenyl)methylideneamino]-2,8-dimethylquinoline-3-carboxamide is Cc1nc2c(C)cccc2cc1C(=O)N/N=C/c1ccc(O)cc1.
What is the InChIKey of N-[(E)-(4-hydroxyphenyl)methylideneamino]-2,8-dimethylquinoline-3-carboxamide?
The InChIKey is ZFJWCRNCGGHRKC-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-12-4-3-5-15-10-17(13(2)21-18(12)15)19(24)22-20-11-14-6-8-16(23)9-7-14/h3-11,23H,1-2H3,(H,22,24)/b20-11+.
What are the key properties of N-[(E)-(4-hydroxyphenyl)methylideneamino]-2,8-dimethylquinoline-3-carboxamide?
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2,8-dimethylquinoline-3-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxyphenyl)methylideneamino]-2,8-dimethylquinoline-3-carboxamide is sourced from PubChem (CID 135401476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).