2-(2-hydroxyphenyl)-N-[(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide

C26H23N3O3 — CID 4505042

IUPAC2-(2-hydroxyphenyl)-N-[(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide
SMILESCC(C)Oc1ccc(C=NNC(=O)c2cc(-c3ccccc3O)nc3ccccc23)cc1
InChIInChI=1S/C26H23N3O3/c1-17(2)32-19-13-11-18(12-14-19)16-27-29-26(31)22-15-24(21-8-4-6-10-25(21)30)28-23-9-5-3-7-20(22)23/h3-17,30H,1-2H3,(H,29,31)
InChIKeyHARYRFMHRYGDJY-UHFFFAOYSA-N
MW425.49 g/mol
LogP5.16
Rot. Bonds6

About 2-(2-hydroxyphenyl)-N-[(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide

2-(2-hydroxyphenyl)-N-[(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide (PubChem CID 4505042) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-N-[(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-N-[(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide
PubChem CID4505042
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name2-(2-hydroxyphenyl)-N-[(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide
SMILESCC(C)Oc1ccc(C=NNC(=O)c2cc(-c3ccccc3O)nc3ccccc23)cc1
InChIInChI=1S/C26H23N3O3/c1-17(2)32-19-13-11-18(12-14-19)16-27-29-26(31)22-15-24(21-8-4-6-10-25(21)30)28-23-9-5-3-7-20(22)23/h3-17,30H,1-2H3,(H,29,31)
InChIKeyHARYRFMHRYGDJY-UHFFFAOYSA-N
XLogP5.16
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 126042516
2-(2-hydroxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 4505035
N-[(E)-[4-[(2R)-butan-2-yl]oxyphenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126048018
2-(2-propan-2-yloxyphenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
CID 26871347
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 6000209
2-(2-hydroxyphenyl)-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide
CID 135647424
2-(2-hydroxyphenyl)-N-[(E)-thiophen-2-ylmethylideneamino]quinoline-4-carboxamide
CID 135647432
N-[(Z)-(3-bromo-4-propan-2-yloxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126043451
2-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 6009364
N-[(E)-(4-acetamidophenyl)methylideneamino]-2-(2-chlorophenyl)quinoline-4-carboxamide
CID 42996080
2-phenyl-N-[(4-propoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 4504169
N-[(E)-(4-butoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126049590

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-N-[(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-(2-hydroxyphenyl)-N-[(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide (CID 4505042) is 2-(2-hydroxyphenyl)-N-[(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-(2-hydroxyphenyl)-N-[(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-(2-hydroxyphenyl)-N-[(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide is CC(C)Oc1ccc(C=NNC(=O)c2cc(-c3ccccc3O)nc3ccccc23)cc1.
What is the InChIKey of 2-(2-hydroxyphenyl)-N-[(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide?
The InChIKey is HARYRFMHRYGDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-17(2)32-19-13-11-18(12-14-19)16-27-29-26(31)22-15-24(21-8-4-6-10-25(21)30)28-23-9-5-3-7-20(22)23/h3-17,30H,1-2H3,(H,29,31).
What are the key properties of 2-(2-hydroxyphenyl)-N-[(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide?
2-(2-hydroxyphenyl)-N-[(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 5.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-N-[(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 4505042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).