N-[(2-hydroxynaphthalen-1-yl)methylideneamino]quinoline-2-carboxamide

C21H15N3O2 — CID 3710730

IUPACN-[(2-hydroxynaphthalen-1-yl)methylideneamino]quinoline-2-carboxamide
SMILESO=C(NN=Cc1c(O)ccc2ccccc12)c1ccc2ccccc2n1
InChIInChI=1S/C21H15N3O2/c25-20-12-10-14-5-1-3-7-16(14)17(20)13-22-24-21(26)19-11-9-15-6-2-4-8-18(15)23-19/h1-13,25H,(H,24,26)
InChIKeyYDZLSKQNVAKTDB-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.86
Rot. Bonds3

About N-[(2-hydroxynaphthalen-1-yl)methylideneamino]quinoline-2-carboxamide

N-[(2-hydroxynaphthalen-1-yl)methylideneamino]quinoline-2-carboxamide (PubChem CID 3710730) has the molecular formula C21H15N3O2 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[(2-hydroxynaphthalen-1-yl)methylideneamino]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxynaphthalen-1-yl)methylideneamino]quinoline-2-carboxamide
PubChem CID3710730
Molecular FormulaC21H15N3O2
Molecular Weight341.37 g/mol
Exact Mass341.12
IUPAC NameN-[(2-hydroxynaphthalen-1-yl)methylideneamino]quinoline-2-carboxamide
SMILESO=C(NN=Cc1c(O)ccc2ccccc12)c1ccc2ccccc2n1
InChIInChI=1S/C21H15N3O2/c25-20-12-10-14-5-1-3-7-16(14)17(20)13-22-24-21(26)19-11-9-15-6-2-4-8-18(15)23-19/h1-13,25H,(H,24,26)
InChIKeyYDZLSKQNVAKTDB-UHFFFAOYSA-N
XLogP3.86
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboxamide
CID 135504405
4-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135400287
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549
1,3-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 135533440
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpyrazole-3-carboxamide
CID 725191
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylpyrazole-3-carboxamide
CID 135804376
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135615439
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 135781772
2,4-dihydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135688483
2-amino-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135770382
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 135645959
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
CID 135491092

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]quinoline-2-carboxamide?
The IUPAC name of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]quinoline-2-carboxamide (CID 3710730) is N-[(2-hydroxynaphthalen-1-yl)methylideneamino]quinoline-2-carboxamide.
What is the SMILES notation for N-[(2-hydroxynaphthalen-1-yl)methylideneamino]quinoline-2-carboxamide?
The canonical SMILES for N-[(2-hydroxynaphthalen-1-yl)methylideneamino]quinoline-2-carboxamide is O=C(NN=Cc1c(O)ccc2ccccc12)c1ccc2ccccc2n1.
What is the InChIKey of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]quinoline-2-carboxamide?
The InChIKey is YDZLSKQNVAKTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2/c25-20-12-10-14-5-1-3-7-16(14)17(20)13-22-24-21(26)19-11-9-15-6-2-4-8-18(15)23-19/h1-13,25H,(H,24,26).
What are the key properties of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]quinoline-2-carboxamide?
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]quinoline-2-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxynaphthalen-1-yl)methylideneamino]quinoline-2-carboxamide is sourced from PubChem (CID 3710730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).