(E)-N-[4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-yl]-1-quinolin-3-ylmethanimine

C28H24N4O2 — CID 11419504

IUPAC(E)-N-[4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-yl]-1-quinolin-3-ylmethanimine
SMILESCOc1ccc(-c2c(C)nn(-c3ccccc3)c2/N=C/c2cnc3ccccc3c2)cc1OC
InChIInChI=1S/C28H24N4O2/c1-19-27(22-13-14-25(33-2)26(16-22)34-3)28(32(31-19)23-10-5-4-6-11-23)30-18-20-15-21-9-7-8-12-24(21)29-17-20/h4-18H,1-3H3/b30-18+
InChIKeyMYZQGMDNDCVGLO-UXHLAJHPSA-N
MW448.53 g/mol
LogP6.16
Rot. Bonds6

About (E)-N-[4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-yl]-1-quinolin-3-ylmethanimine

(E)-N-[4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-yl]-1-quinolin-3-ylmethanimine (PubChem CID 11419504) has the molecular formula C28H24N4O2 and a molecular weight of 448.53 g/mol. Its IUPAC name is (E)-N-[4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-yl]-1-quinolin-3-ylmethanimine.

Molecular Properties

Compound Name(E)-N-[4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-yl]-1-quinolin-3-ylmethanimine
PubChem CID11419504
Molecular FormulaC28H24N4O2
Molecular Weight448.53 g/mol
Exact Mass448.19
IUPAC Name(E)-N-[4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-yl]-1-quinolin-3-ylmethanimine
SMILESCOc1ccc(-c2c(C)nn(-c3ccccc3)c2/N=C/c2cnc3ccccc3c2)cc1OC
InChIInChI=1S/C28H24N4O2/c1-19-27(22-13-14-25(33-2)26(16-22)34-3)28(32(31-19)23-10-5-4-6-11-23)30-18-20-15-21-9-7-8-12-24(21)29-17-20/h4-18H,1-3H3/b30-18+
InChIKeyMYZQGMDNDCVGLO-UXHLAJHPSA-N
XLogP6.16
TPSA61.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.53
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-N-[4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-yl]-1-quinolin-3-ylmethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-yl]-1-quinolin-3-ylmethanimine?
The IUPAC name of (E)-N-[4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-yl]-1-quinolin-3-ylmethanimine (CID 11419504) is (E)-N-[4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-yl]-1-quinolin-3-ylmethanimine.
What is the SMILES notation for (E)-N-[4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-yl]-1-quinolin-3-ylmethanimine?
The canonical SMILES for (E)-N-[4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-yl]-1-quinolin-3-ylmethanimine is COc1ccc(-c2c(C)nn(-c3ccccc3)c2/N=C/c2cnc3ccccc3c2)cc1OC.
What is the InChIKey of (E)-N-[4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-yl]-1-quinolin-3-ylmethanimine?
The InChIKey is MYZQGMDNDCVGLO-UXHLAJHPSA-N. The full InChI is InChI=1S/C28H24N4O2/c1-19-27(22-13-14-25(33-2)26(16-22)34-3)28(32(31-19)23-10-5-4-6-11-23)30-18-20-15-21-9-7-8-12-24(21)29-17-20/h4-18H,1-3H3/b30-18+.
What are the key properties of (E)-N-[4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-yl]-1-quinolin-3-ylmethanimine?
(E)-N-[4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-yl]-1-quinolin-3-ylmethanimine has a molecular weight of 448.53 g/mol, XLogP of 6.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazol-5-yl]-1-quinolin-3-ylmethanimine is sourced from PubChem (CID 11419504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).