N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]quinolin-2-amine

C25H19N5 — CID 5213107

IUPACN-[(1,3-diphenylpyrazol-4-yl)methylideneamino]quinolin-2-amine
SMILESC(=NNc1ccc2ccccc2n1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C25H19N5/c1-3-10-20(11-4-1)25-21(18-30(29-25)22-12-5-2-6-13-22)17-26-28-24-16-15-19-9-7-8-14-23(19)27-24/h1-18H,(H,27,28)
InChIKeyXOYJDJJLYAYSMU-UHFFFAOYSA-N
MW389.46 g/mol
LogP5.53
Rot. Bonds5

About N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]quinolin-2-amine

N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]quinolin-2-amine (PubChem CID 5213107) has the molecular formula C25H19N5 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]quinolin-2-amine.

Molecular Properties

Compound NameN-[(1,3-diphenylpyrazol-4-yl)methylideneamino]quinolin-2-amine
PubChem CID5213107
Molecular FormulaC25H19N5
Molecular Weight389.46 g/mol
Exact Mass389.16
IUPAC NameN-[(1,3-diphenylpyrazol-4-yl)methylideneamino]quinolin-2-amine
SMILESC(=NNc1ccc2ccccc2n1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C25H19N5/c1-3-10-20(11-4-1)25-21(18-30(29-25)22-12-5-2-6-13-22)17-26-28-24-16-15-19-9-7-8-14-23(19)27-24/h1-18H,(H,27,28)
InChIKeyXOYJDJJLYAYSMU-UHFFFAOYSA-N
XLogP5.53
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 55.53
H-Bond Donors ≤ 51
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

N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]pyridin-2-amine
CID 84931945
N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]quinoline-2-carboxamide
CID 3647905
2-chloro-N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]aniline
CID 4185428
N'-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-N-(4-methylphenyl)quinoline-2-carboximidamide
CID 135602467
N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-4,6,8-trimethylquinolin-2-amine
CID 3926285
N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-N-phenylaniline
CID 4605585
3-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2-diol
CID 4840474
N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-hydroxybenzamide
CID 6906212
N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1H-benzimidazol-2-amine
CID 4221591
1-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-3-phenylthiourea
CID 6899908
2,6-dichloro-N-[(E)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]aniline
CID 75362969
2-chloro-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]acetamide
CID 6899907

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]quinolin-2-amine?
The IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]quinolin-2-amine (CID 5213107) is N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]quinolin-2-amine.
What is the SMILES notation for N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]quinolin-2-amine?
The canonical SMILES for N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]quinolin-2-amine is C(=NNc1ccc2ccccc2n1)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]quinolin-2-amine?
The InChIKey is XOYJDJJLYAYSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5/c1-3-10-20(11-4-1)25-21(18-30(29-25)22-12-5-2-6-13-22)17-26-28-24-16-15-19-9-7-8-14-23(19)27-24/h1-18H,(H,27,28).
What are the key properties of N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]quinolin-2-amine?
N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]quinolin-2-amine has a molecular weight of 389.46 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]quinolin-2-amine is sourced from PubChem (CID 5213107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).