N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-ethylquinoline-4-carboxamide

C19H17N3O3 — CID 135457689

IUPACN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-ethylquinoline-4-carboxamide
SMILESCCc1cc(C(=O)N/N=C/c2ccc(O)cc2O)c2ccccc2n1
InChIInChI=1S/C19H17N3O3/c1-2-13-9-16(15-5-3-4-6-17(15)21-13)19(25)22-20-11-12-7-8-14(23)10-18(12)24/h3-11,23-24H,2H2,1H3,(H,22,25)/b20-11+
InChIKeyBVOPSNAVMYYQNL-RGVLZGJSSA-N
MW335.36 g/mol
LogP2.97
Rot. Bonds4

About N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-ethylquinoline-4-carboxamide

N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-ethylquinoline-4-carboxamide (PubChem CID 135457689) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-ethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-ethylquinoline-4-carboxamide
PubChem CID135457689
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-ethylquinoline-4-carboxamide
SMILESCCc1cc(C(=O)N/N=C/c2ccc(O)cc2O)c2ccccc2n1
InChIInChI=1S/C19H17N3O3/c1-2-13-9-16(15-5-3-4-6-17(15)21-13)19(25)22-20-11-12-7-8-14(23)10-18(12)24/h3-11,23-24H,2H2,1H3,(H,22,25)/b20-11+
InChIKeyBVOPSNAVMYYQNL-RGVLZGJSSA-N
XLogP2.97
TPSA94.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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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Related Compounds

N-[(Z)-benzylideneamino]-2-ethylquinoline-4-carboxamide
CID 5404855
N-[(2,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 2327017
2-(4-ethylphenyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 135781987
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 137133430
N-[(2,4-diethoxyphenyl)methylideneamino]-2-propylquinoline-4-carboxamide
CID 1226483
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 136720676
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-ethylbenzamide
CID 135673755
2,5-dihydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]benzamide
CID 17126515
N-[(2-hydroxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 3350380
2,4-dihydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135688483
(2R)-2-anilino-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]butanamide
CID 135764356
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 135645959

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-ethylquinoline-4-carboxamide?
The IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-ethylquinoline-4-carboxamide (CID 135457689) is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-ethylquinoline-4-carboxamide.
What is the SMILES notation for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-ethylquinoline-4-carboxamide?
The canonical SMILES for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-ethylquinoline-4-carboxamide is CCc1cc(C(=O)N/N=C/c2ccc(O)cc2O)c2ccccc2n1.
What is the InChIKey of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-ethylquinoline-4-carboxamide?
The InChIKey is BVOPSNAVMYYQNL-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-2-13-9-16(15-5-3-4-6-17(15)21-13)19(25)22-20-11-12-7-8-14(23)10-18(12)24/h3-11,23-24H,2H2,1H3,(H,22,25)/b20-11+.
What are the key properties of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-ethylquinoline-4-carboxamide?
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-ethylquinoline-4-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 2.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-ethylquinoline-4-carboxamide is sourced from PubChem (CID 135457689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).