N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-4,6,8-trimethylquinolin-2-amine

C28H25N5 — CID 3926285

IUPACN-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-4,6,8-trimethylquinolin-2-amine
SMILESCc1cc(C)c2nc(NN=Cc3cn(-c4ccccc4)nc3-c3ccccc3)cc(C)c2c1
InChIInChI=1S/C28H25N5/c1-19-14-21(3)27-25(15-19)20(2)16-26(30-27)31-29-17-23-18-33(24-12-8-5-9-13-24)32-28(23)22-10-6-4-7-11-22/h4-18H,1-3H3,(H,30,31)
InChIKeyCSLFXHFZCRJYBB-UHFFFAOYSA-N
MW431.54 g/mol
LogP6.46
Rot. Bonds5

About N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-4,6,8-trimethylquinolin-2-amine

N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-4,6,8-trimethylquinolin-2-amine (PubChem CID 3926285) has the molecular formula C28H25N5 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-4,6,8-trimethylquinolin-2-amine.

Molecular Properties

Compound NameN-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-4,6,8-trimethylquinolin-2-amine
PubChem CID3926285
Molecular FormulaC28H25N5
Molecular Weight431.54 g/mol
Exact Mass431.21
IUPAC NameN-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-4,6,8-trimethylquinolin-2-amine
SMILESCc1cc(C)c2nc(NN=Cc3cn(-c4ccccc4)nc3-c3ccccc3)cc(C)c2c1
InChIInChI=1S/C28H25N5/c1-19-14-21(3)27-25(15-19)20(2)16-26(30-27)31-29-17-23-18-33(24-12-8-5-9-13-24)32-28(23)22-10-6-4-7-11-22/h4-18H,1-3H3,(H,30,31)
InChIKeyCSLFXHFZCRJYBB-UHFFFAOYSA-N
XLogP6.46
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 56.46
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-[(1,3-diphenylpyrazol-4-yl)methylideneamino]quinolin-2-amine
CID 5213107
4,6-dimethyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]pyrimidin-2-amine
CID 8971405
N-[(E)-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-methylaniline
CID 21236227
2-chloro-N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]aniline
CID 4185428
5-(diethylamino)-2-[(E)-[(4,6,8-trimethylquinolin-2-yl)hydrazinylidene]methyl]phenol
CID 135684895
1-(2,3-dimethylphenyl)-3-[(1,3-diphenylpyrazol-4-yl)methylideneamino]thiourea
CID 3966220
N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzenesulfonamide
CID 1360492
N-[(E)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzenesulfonamide
CID 6896191
1-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-3-phenylthiourea
CID 6899908
1-(4-methylphenyl)-3-phenylpyrazole-4-carbaldehyde
CID 3827316
N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 2423892

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-4,6,8-trimethylquinolin-2-amine?
The IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-4,6,8-trimethylquinolin-2-amine (CID 3926285) is N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-4,6,8-trimethylquinolin-2-amine.
What is the SMILES notation for N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-4,6,8-trimethylquinolin-2-amine?
The canonical SMILES for N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-4,6,8-trimethylquinolin-2-amine is Cc1cc(C)c2nc(NN=Cc3cn(-c4ccccc4)nc3-c3ccccc3)cc(C)c2c1.
What is the InChIKey of N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-4,6,8-trimethylquinolin-2-amine?
The InChIKey is CSLFXHFZCRJYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5/c1-19-14-21(3)27-25(15-19)20(2)16-26(30-27)31-29-17-23-18-33(24-12-8-5-9-13-24)32-28(23)22-10-6-4-7-11-22/h4-18H,1-3H3,(H,30,31).
What are the key properties of N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-4,6,8-trimethylquinolin-2-amine?
N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-4,6,8-trimethylquinolin-2-amine has a molecular weight of 431.54 g/mol, XLogP of 6.46, 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]-4,6,8-trimethylquinolin-2-amine is sourced from PubChem (CID 3926285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).