4-methoxy-N-[[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]aniline

C25H23N5OS — CID 123932684

About 4-methoxy-N-[[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]aniline

4-methoxy-N-[[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]aniline (PubChem CID 123932684) has the molecular formula C25H23N5OS and a molecular weight of 441.56 g/mol. Its IUPAC name is 4-methoxy-N-[[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]aniline.

Molecular Properties

• Compound Name: 4-methoxy-N-[[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]aniline
• PubChem CID: 123932684
• Molecular Formula: C25H23N5OS
• Molecular Weight: 441.56 g/mol
• Exact Mass: 441.16
• IUPAC Name: 4-methoxy-N-[[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]aniline
• SMILES: COc1ccc(NN=C2CCCc3ccc(-c4sc(-c5cccnc5)nc4C)nc32)cc1
• InChI: InChI=1S/C25H23N5OS/c1-16-24(32-25(27-16)18-6-4-14-26-15-18)22-13-8-17-5-3-7-21(23(17)28-22)30-29-19-9-11-20(31-2)12-10-19/h4,6,8-15,29H,3,5,7H2,1-2H3
• InChIKey: HOROHWALKQGKRW-UHFFFAOYSA-N
• XLogP: 5.74
• TPSA: 72.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.56
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]aniline?

The IUPAC name of 4-methoxy-N-[[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]aniline (CID 123932684) is 4-methoxy-N-[[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]aniline.

What is the SMILES notation for 4-methoxy-N-[[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]aniline?

The canonical SMILES for 4-methoxy-N-[[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]aniline is COc1ccc(NN=C2CCCc3ccc(-c4sc(-c5cccnc5)nc4C)nc32)cc1.

What is the InChIKey of 4-methoxy-N-[[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]aniline?

The InChIKey is HOROHWALKQGKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5OS/c1-16-24(32-25(27-16)18-6-4-14-26-15-18)22-13-8-17-5-3-7-21(23(17)28-22)30-29-19-9-11-20(31-2)12-10-19/h4,6,8-15,29H,3,5,7H2,1-2H3.

What are the key properties of 4-methoxy-N-[[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]aniline?

4-methoxy-N-[[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]aniline has a molecular weight of 441.56 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N-[[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]aniline is sourced from PubChem (CID 123932684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).