N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide

C20H19N3O3 — CID 838467

IUPACN-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide
SMILESCCOc1cc(C=NNC(=O)c2cc3ccccc3nc2C)ccc1O
InChIInChI=1S/C20H19N3O3/c1-3-26-19-10-14(8-9-18(19)24)12-21-23-20(25)16-11-15-6-4-5-7-17(15)22-13(16)2/h4-12,24H,3H2,1-2H3,(H,23,25)
InChIKeyOBOIREVBSIJJDL-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.41
Rot. Bonds5

About N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide

N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide (PubChem CID 838467) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide
PubChem CID838467
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide
SMILESCCOc1cc(C=NNC(=O)c2cc3ccccc3nc2C)ccc1O
InChIInChI=1S/C20H19N3O3/c1-3-26-19-10-14(8-9-18(19)24)12-21-23-20(25)16-11-15-6-4-5-7-17(15)22-13(16)2/h4-12,24H,3H2,1-2H3,(H,23,25)
InChIKeyOBOIREVBSIJJDL-UHFFFAOYSA-N
XLogP3.41
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-fluorobenzamide
CID 773930
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-methylquinoline-3-carboxamide
CID 6110691
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide
CID 135708601
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(furan-2-yl)quinoline-4-carboxamide
CID 135577198
2-chloro-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-methylbenzamide
CID 135905932
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide
CID 3835530
N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 135538343
2-(2-ethoxyphenyl)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 135801083
2-[2-ethoxy-4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 4517422
3,4-diethoxy-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 137068274
N,N'-bis[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]butanediamide
CID 135884833
N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)oxamide
CID 135756956

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide?
The IUPAC name of N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide (CID 838467) is N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide is CCOc1cc(C=NNC(=O)c2cc3ccccc3nc2C)ccc1O.
What is the InChIKey of N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide?
The InChIKey is OBOIREVBSIJJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-3-26-19-10-14(8-9-18(19)24)12-21-23-20(25)16-11-15-6-4-5-7-17(15)22-13(16)2/h4-12,24H,3H2,1-2H3,(H,23,25).
What are the key properties of N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide?
N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 838467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).